alpha-Chloro-p-xylene 对甲基氯化苄

CAS 104-82-5 MFCD00000919

化学结构图

104-82-5
SMILES: CC1CCC(CCl)CC1

化学属性

Mol. FormulaC8H9Cl
Mol. Weight140.61
Refractive index1.5330 to 1.5350
Boiling Point200°C at 760 mmHg
Density1.062
Melting Point4°C
Flash Point75.56°C
TSCAYes
Solubility不溶于水，溶于醇、醚。
Stability催泪

别名和识别编码

Chemical Namealpha-Chloro-p-xylene
Synonym 1-(Chloromethyl)-4-methylbenzene Alpha-Chloro-p-methyltoluene a-Chloro-p-methyltoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number104-82-5
PubChem Substance ID87565461
EC Number203-241-1
Beilstein Registry Number507387
MDL NumberMFCD00000919
Reaxys-RN507387
Merck Number10091
Chemical Name Translation对甲基氯化苄
LabNetwork Molecule IDLN00194271
InChIInChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
Canonical SMILESCC1=CC=C(CCl)C=C1
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分类

  • {SNA} Aryl, Building Blocks, C8, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Aryl, Building Blocks, C8, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks

相关文献及参考

  • Merck:14,10091
  • Merck:14,10091 Beilstein:5,384
  • A general method for ɑ-elimination from alkyl halides with the hindered base obtained by lithiation of 2,2,6,6-Tetramethyl­piperidine, A18712, to give carbenes, is illustrated by the formation of p-tolylcarbene and trapping by cyclopropane formation. For list of examples, see: Org. Synth. Coll., 6, 571 (1988):
  • Short: III/20b
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 8
RTECSZE4030000
Precautionary statements
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • 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。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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）；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 3265 UN 2922 8/PG 3 UN3265
Packing GroupIII
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1100 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: 39(4),86,1974

Storage condition +4°C 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:4-甲基氯苄(104-82-5)核磁图( 13 CNMR) 4-甲基氯苄(104-82-5)红外图谱(IR1) 4-甲基氯苄(104-82-5)质谱(MS) 4-甲基氯苄(104-82-5)Raman光谱
  • F:19
  • MOL 文件:104-82-5.mol
  • Acros Organics:alpha-氯对二甲苯 alpha-Chloro-p-xylene, 99+%(104-82-5)
  • 下游产品:(+)-1-苯基-2-(对甲基苯基)乙胺
  • MSDS 信息:对甲基氯化苄(104-82-5).msds
  • TCI Shanghai:α-氯对二甲苯 alpha-Chloro-p-xylene,>;98.0%(GC)(104-82-5)
  • Hazard Note:Harmful/Corrosive/Lachrymatory
  • 海关编码:29036990
  • 外观性质:无色液体。
  • Sigma Aldrich:104-82-5(sigmaaldrich)
  • 用途一:用于制备对甲基苯甲醇、对甲基苯甲醛等
  • 4-甲基氯苄价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0312 α-氯对二甲苯 alpha-Chloro-p-xylene 500G 1000元 2014/06/02 C0312 α-氯对二甲苯 alpha-Chloro-p-xylene 25G 185元 2010/06/21 110175000 4-甲基氯苄 alpha-Chloro-p-xylene 99+% 500 ML 1440元
  • Alfa Aesar:4-甲基苄氯,98% 4-Methylbenzyl chloride, 98%(104-82-5)
  • 敏感性:Lachrymatory

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  6. C8 - Aryl
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳香卤代烃
  6. C7

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