Methyl Benzenesulfonate 苯磺酸甲酯

CAS 80-18-2 MFCD00014737

化学结构图

80-18-2
SMILES: COS(=O)(=O)c1ccccc1

化学属性

Mol. FormulaC7H8O3S
Mol. Weight172.20
Density1.3
Refractive index1.5160 to 1.5180
Flash Point143°C(lit.)
TSCAYes
Boiling Point147-150 °C at 13 mmHg
Melting Point-4 °C
Appearance 无色液体。沸点为150℃(2.0kPa),相对密度1.2730(17/4℃),折光率1.5151。易溶于醇;醚和氯仿,微溶于水。在水、酸、碱和乙醇中分解。
Solubility不溶于水,易溶于乙醇、乙醚、氯仿。

别名和识别编码

Chemical NameMethyl Benzenesulfonate
CAS Number80-18-2
Synonym Methyl benzenesulfonate {LY} Methyl benzenesulfonate {} {LY} Methyl benzenesulfonate {} {} {LY} Methyl benzenesulfonate {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number201-256-8
Beilstein Registry Number908448
MDL NumberMFCD00014737
Reaxys-RN908448
PubChem Substance ID87563246
Chemical Name Translation苯磺酸甲酯
LabNetwork Molecule IDLN00223477
Canonical SMILESO=S(C1=CC=CC=C1)(OC)=O
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分类

  • Aromatics
  • Mutagenesis Research Chemicals
  • Sulfur & Selenium Compounds

产品应用

  • A sulfonate ester as potential genotoxic impurity in drug substances.

相关文献及参考

  • Alkylating agent.
  • Eder, E., et al.: Xenobiotica, 12, 831

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
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;
  • 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);
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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
  • 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。
  • 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+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+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
  • P337+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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDB7151000
Packing GroupII
UN Number 3265 UN3265
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 8 C C,Xi
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 740 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(1),82,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(1),82,1986

Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed sto

其他信息

  • Alfa Aesar:苯磺酸甲酯,98% Methyl benzenesulfonate, 98%(80-18-2)
  • Acros Organics:苯磺酸甲酯 Methyl benzenesulfonate, 99%(80-18-2)
  • 用途一:用作染料和医药工业的原料
  • 方法一:由氯磺酸、苯、甲醇经氯磺化和酯化反应而制得。酯化产物经减压蒸馏,制得含量大于97%的产品。原料消耗定额:氯磺酸(95%)约3400kg/t、苯900kg/t、甲醇700kg/t。
  • 下游产品:苯磺酸阿曲库铵
  • 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 2014/06/02 B0033 苯磺酸甲酯 Methyl Benzenesulfonate 500ML 2480元 2014/06/02 B0033 苯磺酸甲酯 Methyl Benzenesulfonate 25ML 325元 2010/06/21 413990250 苯磺酸甲酯 Methyl benzenesulfonate 99% 25 GR 593元
  • MSDS 信息:Methyl benzenesulfonate(80-18-2).msds
  • Sigma Aldrich:80-18-2(sigmaaldrich)
  • TCI Shanghai:苯磺酸甲酯 Methyl Benzenesulfonate,>;98.0%(GC)(80-18-2)
  • MOL 文件:80-18-2.mol
  • 上游原料:氯磺酸 --> 苄醇
  • 用途二:该品在有机合成中用作烷基化剂,用于生产染料艳绿FFB。
  • 图谱信息:苯磺酸甲酯(80-18-2)核磁图( 13 CNMR) 苯磺酸甲酯(80-18-2)质谱(MS) 苯磺酸甲酯(80-18-2)红外图谱(IR1)
  • Hazard Note:Irritant/Corrosive

系列性分类


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