Methyl 4-methylbenzenesulfonate 对甲苯磺酸甲酯

CAS 80-48-8 MFCD00008417

化学结构图

80-48-8
SMILES: COS(=O)(=O)c1ccc(C)cc1

化学属性

Mol. FormulaC8H10O3S
Mol. Weight186.23
Refractive indexn20/D 1.5172(lit.)
Boiling Point291.8°C at 760 mmHg
Density1.234
Melting Point25-28 °C
Autoignition Point896 °F
Vapor Density6.45 (vs air)
Vapor Pressure1 mmHg ( 20 °C)
Flash Point>110°C
TSCAYes
SolubilityInsoluble

别名和识别编码

Chemical NameMethyl 4-methylbenzenesulfonate
Synonym Methyl 4-methylbenzenesulfonate {LY} Methyl 4-methylbenzenesulfonate {} {LY} Methyl 4-methylbenzenesulfonate {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00008417
CAS Number80-48-8
PubChem Substance ID87576248
EC Number201-283-5
Beilstein Registry Number609209
Chemical Name Translation对甲苯磺酸甲酯
Reaxys-RN609209
Wiswesser Line Notation1OSWR D1
LabNetwork Molecule IDLN00006356
Canonical SMILESO=S(C1=CC=C(C)C=C1)(OC)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Tosylates

产品应用

  • 本品主要用于医药、有机合成，显象胶带等行业。

相关文献及参考

  • Found to give quantitative alkylation of the lithio-derivatives of enol acetates, whereas alkyl iodides give only modest yields: Synth. Commun., 3, 67 (1973).
  • Beilstein:11,99

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 8 C
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSXT7000000
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。
  • 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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • 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。
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • 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
  • S24 Avoid contact with skin 避免皮肤接触；
  • 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；
  • 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；
  • 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）；
Packing GroupII
UN Number 3261 UN 3261 8/PG 2
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
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class8 
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg/54W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
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            : 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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1400 mg/kg/2Y
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
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       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 341 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,1067,1986

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 11 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 198,73,1988

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 4 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 198,73,1988

其他信息

  • 蒸气压:1 mm Hg ( 20 °C)
  • 图谱信息:对甲苯磺酸甲酯(80-48-8)核磁图( 13 CNMR) 对甲苯磺酸甲酯(80-48-8)质谱(MS) 对甲苯磺酸甲酯(80-48-8)红外图谱(IR1)
  • F:21
  • 外观性质:低熔点固体或液体。
  • 蒸气密度:6.45 (vs air)
  • 用途三:用作有机合成的选择性甲基化试剂。
  • 用途四:本品主要用于医药、有机合成，显象胶带等行业。
  • 上游原料:4-甲苯磺酰氯
  • 海关编码:29051900
  • 下游产品:1,3,3-三甲基-2-亚甲基吲哚啉 --> 5-溴-1,2-二甲基-1H-咪唑
  • MOL 文件:80-48-8.mol
  • 对甲苯磺酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30122626 对甲苯磺酸甲酯 100g 148元 2011/04/16 T0269 对甲苯磺酸甲酯 Methyl p-Toluenesulfonate 25G 156元 2011/04/16 T0269 对甲苯磺酸甲酯 Methyl p-Toluenesulfonate 500G 624元
  • MSDS 信息:对甲苯磺酸甲酯(80-48-8).msds
  • Sigma Aldrich:80-48-8(sigmaaldrich)
  • 用途二:用作制备甲基化原料
  • 方法一:由对甲苯磺酰氯与甲醇反应而得。将对甲苯磺酰氯和甲醇混合，慢慢加入25%的氢氧化钠溶液，温度控制在25℃以下，至pH为9时，停止加碱，继续搅拌2h，放置过夜。取下层反应物，上层用苯提取，提取液回收苯后与下层合并，依次用水和5%碳酸钾溶液洗涤，经干燥后减压蒸馏即得成品。
  • Alfa Aesar:对甲基磺酸甲苯,98% Methyl p-toluenesulfonate, 98%(80-48-8)
  • Acros Organics:对甲苯磺酸甲酯 Methyl p-toluenesulfonate, 97%(80-48-8)
  • 敏感性:Moisture Sensitive
  • 用途一:用于制造染料及有机合成
  • TCI Shanghai:对甲苯磺酸甲酯 Methyl p-Toluenesulfonate,>;98.0%(GC)(80-48-8)

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Tosylates - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Tosylates - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thioureas
  1. Functional Group 官能团索引
  2. sulfonic acid ester

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