Benzyl Chloride 苄基氯

CAS 100-44-7 MFCD00000889

化学结构图

100-44-7
SMILES: ClCc1ccccc1

化学属性

Mol. FormulaC7H7Cl
Mol. Weight127
Refractive index1.5370 to 1.5400
Boiling Point177-181
Density1.1
Melting Point-43
Flash Point67°C(lit.)
TSCAYes
Solubility不溶于水,可混溶于乙醇、氯仿等多数有机溶剂。
Autoignition Point1085 °F
Vapor Density4.36 (vs air)
Vapor Pressure10.3 mmHg ( 60 °C)
Stability对湿度、光线敏感
pH-:A
Danger-Level-
Redox-

别名和识别编码

Chemical NameBenzyl Chloride
CAS Number100-44-7
Synonym (Chloromethyl)benzene (chloromethyl)-Benzene (chloromethyl)-benzen (chloromethyl)benzene 1-Chlormethylbenzol 6-(Chloromethyl)benzene ?-Chlorotoluene A-CHLOROTOLUENE A-Chlortoluol AKO ALPHA-CHLOROTOLUENE Alpha-chlorotoluene BENZYL CHLORIDE Benzene, (chloromethyl)- Benzile Benzile(cloruro di) Benzyl Chloride Benzyl chloride Benzylchlorid Benzyle (chlorure de) C7H7Cl (chloromethyl-benzene) Chloromethylbenzene Chlorophenylmethane NCI-C06360 Phenylmethyl Chloride Phenylmethyl chloride RCRA waste number P028 Toluene, a-chloro- Toluene, α-chloro- Tolyl Chloride {}
PubChem Substance ID87563455
Beilstein Registry Number471308
MDL NumberMFCD00000889
Reaxys-RN471308
Merck Number1129
EC Number202-853-6
Chemical Name Translation苄基氯
Wiswesser Line NotationG1R
LabNetwork Molecule IDLN00196061
InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
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分类

  • Chemical Synthesis, Others, Protecting and Derivatizing Reagents, Protection and Derivatization, Synthetic Reagents
  • {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 有机磷类杀菌剂
  • {SNA} Chemical Synthesis, Other Protecting and Derivatizing Reagents, Protecting and Derivatizing Reagents, Protection and Derivatization, Synthetic Reagents

产品应用

  • 制造香料、染料和人造树脂。有机合成。

相关文献及参考

  • Qiu, Z.: J Nat. Gas Chem., 14, 40 (2005); Abdelhalim, M.M. at al.: Steroids, 72, 459 (2007); Elmegeed, Get al.: Eur. J. Med. Chem., 40, 1283 (2005);
  • Merck:14,1129
  • Benzyllithium and substituted analogues have proved difficult to generate in a pure state owing to competing Wurtz coupling. Conditions have been described for efficient generation of benzyllithiums from the chlorides using Li naphthalenide in a mixed diethyl ether - THF - petroleum ether solvent system at -95o: J. Chem. Soc., Perkin 1, 185 (1995).
  • Amidocarbonylation with acetamide and a CO/H2 mixture under pressure, in the presence of Co2(CO)8 catalyst, provides a novel route to N-acetyl-DL-phenylalanine: J. Org. Chem., 61, 1842 (1996).
  • Merck:14,1129 Beilstein:5,292
  • Short: II/24B

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 6.1 T T+
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H331 Toxic if inhaled 吸入中毒
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H350 May cause cancer 可能致癌
  • H318 Causes serious eye damage 严重伤害眼睛
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H340 May cause genetic defects 可能导致遗传性缺陷
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H330 Fatal if inhaled 吸入致命
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXS8925000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353
  • P304+P340+P310
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P310
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning {} {} {} {} {} {} {} {} {} {} {TCI}
UN Number 1738 UN 1738 6.1/PG 2 UN1738
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R23 Toxic by inhalation 吸入有毒
  • R26 Very toxic by inhalation 吸入极毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R45 May cause cancer 可能致癌
  • R46 May cause inheritable genetic damage 可能引起遗传基因损害
  • R48/22
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Storage condition Moisture Sensitive 密封阴凉干燥保存。 0-6°C 充氩保存
Packing GroupII
Hazard Class6.1/8
Warnings 危化品目录(2015)
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 31 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Vascular - tumors
   Gastrointestinal - tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 76,1231,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9200 mg/kg/50W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   72,655,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 6,576,1968

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2100 mg/kg/53W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher i

TYPE OF TEST            : LD50 - Let

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 40(1),92,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1231 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB214-270

TYPE OF TEST            : LD50 - Le

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 625 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(3),11,1979

{h

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 145,209,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 666 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9(Suppl
   9),1,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 6300 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,143,1978

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 400 ppm
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,901,1979

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 7900 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    196

TYPE OF TEST

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 79200 nmol/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,143,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 17,51,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 250 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 100,345,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 2500 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 100,345,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 11 ug/kg
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death

Restrict -

其他信息

  • 外观性质:无色液体,有不愉快的刺激性气味。
  • 蒸气压:10.3 mm Hg ( 60 °C)
  • 用途一:用于有机合成
  • Alfa Aesar:苄基氯,99%,stab. Benzyl chloride, 99%, stab.(100-44-7)
  • 方法二:1.甲苯连续光氯化法将干燥不含铁质的甲苯加到无铁反应器中,在光照下进行高温氯化。然后分馏氯化产物,即得氯化苄,副产氯化氢用水吸收得盐酸,副产α-二氯甲基苯可经水解作用制成苯甲醛。2.甲苯无光热氯化法甲苯先静置6h以上以除去铁质,再经高位槽送入氯化锅中,以蒸气加热至沸腾后停止加热,通入氯气进行氯化,连续反应制得的氯化苄通过底部溢流管冷却后进入贮槽。3.甲苯在催化剂过氧化物存在下与氯化亚砜反应。4.在氯化锌催化下,苯环氯甲基化。
  • Sigma Aldrich:100-44-7(sigmaaldrich)
  • 可燃性危险特性:明火可燃;与水、氧化剂
  • 可燃。有不愉快的
  • {Chemical
  • 下游产品:美克洛嗪 --> 柔软剂 DOD --> 6-苄氨基嘌呤 --> α-乙酰氨基对甲苯磺酰氯 --> 苄基三甲基氯化铵 --> N-乙基-N-苄基苯胺 --> N-苄基氯化辛可宁丁 --> O,O-二异丙基硫代磷酸铵 --> 柳酸苄酯 --> 溶解盐SV --> 肉桂酸苄酯 --> 丙酸苄酯 --> 苄醚 --> α-异丁基苯乙醇 --> 2,3-二苯基丙酸 --> 5-苄氧基吲哚-2-甲酸乙酯 --> 助拨剂 O,二甲基苄基苯基氯化铵 --> 大红色基LG --> 丁酸苯甲酯 --> 1-苄基-3-羟基-1H-吲唑 --> 氯化二乙基硬脂酰乙基苄基铵 --> S-苄基硫脲盐酸盐 --> 十四烷基二甲基苄基氯化铵 --> 3-苄氧基苯酚 --> 邻苯二甲酸丁苄酯 --> 农乳 BCH --> S-苄基-L-半胱氨酸 --> 4-苄基吡啶 --> 1-苄氧基-2-甲氧基-4-丙烯基苯 --> 邻苯二甲酸二苄酯 -->
  • 用途四:有机合成中间体,广泛用于医药、农药、香料、染料助剂、合成树脂等方面。氯化苄的主要衍生产品如下:(1)苄基步丁胺:氯化苄叔丁胺反应而得。(2)邻苯二甲酸丁苄酯(BBP):先由邻苯二甲酸酐与丁醇生成苯二甲酸单丁酯,再继续与氢氧化钠生成单丁酯钠盐,钠盐与氯化苄生成BBP。广泛用作PVC塑料制品的主增塑剂。(3)苄醇:氯化苄在碱存在下加热水解而得。是氯化苄的重要衍生物之一。是吨位较大的精细化工产品。芳醇制备的苯甲酸苄酯、乙酸苄酯、丙酸苄酯可用作香料、溶剂等。(4)苄基季胺盐:例如十二烷基二甲基苄基氯化铵(洁而灭)、十二烷基二甲基苄基溴化铵(新洁而灭)。苄基季胺盐阳离子表面活性剂主要用作消毒剂、疏水剂、腐蚀抑制剂、去乳化剂、相转移催化剂。(5)苯乙腈:氯化苄和氰化钠缩合而得,是氯化苄的重要衍生物之一,主要用于农药辛硫磷,乙基稻丰散,医药咳必清、地巴唑的生产。用苯乙腈制备的一系列中间体有很多重要用途。例如苯乙酸、苯乙醛、邻乙苯基苯甲酸、2-氯代苯乙酸乙酯、苯乙胺、α-苯乙酰胺、苯乙酸乙酯、β-苯乙醇。(6)二苯甲烷:氯化苄在铝汞齐催化剂存在下与苯反应而得,用于有机合成材料。二苯甲烷经硝酸氧化制得二苯甲酮,主要用作紫外线吸收剂、医药中间体。(7)对氯氯苄:氯化苄低温氯化而得,用于进一步制备对氯苯甲醇、对氯苯甲醛、对氯苯乙腈、对氯苯甲酸、对氯二苯甲烷、对氯氰苄,主要用于医药生产。(8)二苄基硫醚:氯化苄与硫化钠反应而得,用于有机合成。(9)N-甲基苄胺:氯化苄与-甲胺在苯溶剂中反应制得,用作医药中间体。(10)苄胺:氯化苄与乌洛托品反应、或与氨水反应而得,苄胺与甲醛、甲酸反应合成的N,N-二甲基苄胺,是新洁而灭的原料。(11)二苄胺:氯化苄与液氨在乙醇中反应而得,用于有机合成。(12)S-苄基异硫脲:氯化苄与硫脲缩合而得,用作试剂和有机合成的原料。(13)肉桂酸苄酯:由肉桂酸与氯化苄反应或肉桂酸甲酯与过量的苄醇反应而得,用作香料的定香剂和变调剂。(14)邻羟基苯甲酸苄酯:由氯化苄与邻羟基苯甲酸钠和二甲基亚砜制得,在生产香料中是重要的中间体。(15)苯甲醛:氯化苄酸解或碱解而得,是氯化苄重要的衍生物之一。用于生产肉桂酸、肉桂醛、α-戊基肉桂醛、α-乙基肉桂醛、苯丁烯酮等。
  • F:8-19
  • 用途二:是制造染料、香料、药物、合成鞣剂、合成树脂等的原料

系列性分类


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