2-Phenylethyl Isothiocyanate 2-苯基乙基异硫代氰酸酯

CAS 2257-09-2 MFCD00004821

化学结构图

2257-09-2
SMILES: S=C=NCCc1ccccc1

化学属性

Mol. FormulaC6H5CH2CH2NCS
Mol. Weight163
Density1.094
Refractive index1.5840 to 1.5950
Boiling Point126°C/20mmHg(lit.)
Flash Point>110°(230°F)
TSCAYes
Solubility不溶
Stability对湿度敏感

别名和识别编码

Chemical Name2-Phenylethyl Isothiocyanate
CAS Number2257-09-2
Synonym 2-PHENYLETHYL ISOTHIOCYANATE AKOS B016323 2-苯基乙基 硫代异氰酸酯 Phenylethyl mustard oil ISOTHIOCYANIC ACID BETA-PHENYLETHYL ESTER phenylethylmustardoil BETA-PHENETHYL ISOTHIOCYANATE 异硫氰酸-2-苯乙酯 2-苯基乙基异硫氰酸酯 (2-isothiocyanatoethyl)-benzen (2-Isothiocyanatoethyl)benzene Benzene, (2-isothiocyanatoethyl)- Phenethyl isothiocyanate beta-phenylethylisothiocyanate beta-Phenylethyl isothiocyanate 2-PHENETHYL ISOTHIOCYANATE Phenylaethylsenfoel Phenylethyl isothiocyanate PHENETHYL ISOTHIOCYANATE 2-苯乙基异硫氰酸盐 1-(2-ISOTHIOCYANATOETHYL)BENZENE Phenethyl mustard oil 2-苯基乙基异硫代氰酸酯
MDL NumberMFCD00004821
EC Number218-855-5
Beilstein Registry Number12(4)2476
PubChem Substance ID87575100
Reaxys-RN2084162
Merck Number7226
Chemical Name Translation2-苯基乙基异硫代氰酸酯
Wiswesser Line NotationSCN2R
InChIInChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
LabNetwork Molecule IDLN00357121
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分类

  • {SNA} Anti-proliferative Agents, Armoracia rusticana (Horseradish), Bioactive Small Molecules, Building Blocks, Chemical Synthesis, Chemopreventive Agents, Nutrition Research, Organic Building Blocks, P, Phytochemicals by Plant (Food/Spice/Herb), Sulfur Compounds, Thiocyanates/Isothiocyanates,

相关文献及参考

  • Merck:7226
  • Merck:7226 Beilstein:12(4)2476

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
  • 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。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下,戴呼吸防护。
  • P301+P330+P331+P310
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P342+P311
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H302+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNX9115000
Packing GroupIII
UN Number 1760
Storage condition Moisture Sensitive
Hazard Codes Xn
Hazard Class8
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 21,121,1971

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 19,558,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 10,30,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 10,30,1962

TYP

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 900 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 348,19,1995

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1200 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 348,19,1995

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 300,111,1993

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 300,111,1993

其他信息

  • 储运特性:库房通风低温干燥; 与食品原料分开储运
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 异硫氰酸苯乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 类别:农药
  • Acros Organics:异硫氰酸苯乙酯 Phenylethyl isothiocyanate, 96%(2257-09-2)
  • 存储注意事项:氮气保护;湿度敏感
  • MOL 文件:2257-09-2.mol
  • TCI Shanghai:(2-异硫氰酸基乙基)苯 2-Phenylethyl Isothiocyanate,>;97.0%(GC)(2257-09-2)
  • 毒性分级:中毒
  • 急性毒性:口服- 小鼠 LD50: 700 毫克/ 公斤
  • Sigma Aldrich:2257-09-2(sigmaaldrich)
  • F:10-23
  • Alfa Aesar:2-苯基乙基硫代异氰酸酯,98% 2-Phenylethyl isothiocyanate, 98%(2257-09-2)
  • 2-苯基乙基异硫代氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0986 异硫氰酸2-苯基乙酯 2-Phenylethyl Isothiocyanate 10ML 714元 2010/06/21 265160250 2-苯基乙基异硫代氰酸酯 Phenylethyl isothiocyanate 96% 25 GR 2325元 2010/06/21 265160050 2-苯基乙基异硫代氰酸酯 Phenylethyl isothiocyanate 96% 5 GR 589元
  • 灭火剂:干粉、泡沫、砂土
  • 可燃性危险特性:燃烧产生有毒硫氧化物和氮氧化物气体
  • 敏感性:Moisture Sensitive
  • FEMA:4014

系列性分类