Benzyl isocyanate 异氰酸苄酯

CAS 3173-56-6 MFCD00009701

化学结构图

3173-56-6
SMILES: O=C=NCc1ccccc1

化学属性

Mol. FormulaC8H7NO
Mol. Weight133
Density1.078
Refractive index1.5240 to 1.5270
Boiling Point118°C/200mmHg(lit.)
Flash Point45°C(lit.)
TSCANo

别名和识别编码

Chemical NameBenzyl Isocyanate
CAS Number3173-56-6
Alfabeta NameISOCYANATOMETHYLBENZENE ()
MDL NumberMFCD00009701
Synonym 苄基异氰酸酯 {uni_hamburg} Benzyl isocyanate, 99+% Isocyanatomethyl-benzene N-Benzylisocyanate Benzyl isocyanate 98% (isocyanatomethyl)-benzen Isocyanic acid, benzyl ester Benzyl isocyanate BENZYL ISOCYANATE α-Isocyanatotoluene (Isocyanatomethyl)benzene Isocyansäurebenzylester Phenylmethyl isocyanate ISOCYANIC ACID BENZYL ESTER Benzylisocyanate,98% benzoylisocyanate 异氰酸苄酯 苄基异氰酸酯,98% Benzene, (isocyanatomethyl)-
EC Number221-640-9
Beilstein Registry Number12,1059
PubChem Substance ID76639
Reaxys-RN636508
Chemical Name Translation异氰酸苄酯
LabNetwork Molecule IDLN00222247
InChIInChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Protected ammonia equivalent in the stereoselective ring-opening of chiral 2,3-epoxy alcohols (from Sharpless asymmetric epoxidation). The key step in the sequence involv
  • Short: III/35E
  • Short: IV/20C
  • Short: EINECS
  • For general reactions of isocyanates, see Appendix 3.
  • Protected ammonia equivalent in the stereoselective ring-opening of chiral 2,3-epoxy alcohols (from Sharpless asymmetric epoxidation). The key step in the sequence involves intramolecular cyclization of the carbamate intermediate: J. Org. Chem., 50, 3752 (1985):

安全信息

Warnings TOXIC, FLAMMABLE
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R42/43
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P264+P265
  • 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。
  • 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。
  • 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+P310
  • P301+P316
  • P301+P317
  • P302+P352
  • P302+P352+P333+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • P304+P341
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • P342+P311
  • P342+P316
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • 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
  • H330 Fatal if inhaled 吸入致命
  • 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
Packing GroupIII
UN Number UN 3080 6.1/PG 2 UN3080 2478
Storage condition Moisture Sensitive 0-10 储存温度2-8°C 0-10°C 2-8°C
Hazard Codes Xn T
Hazard Class3/6.1

其他信息

  • MSDS 信息:Benzyl isocyanate(3173-56-6).msds
  • TCI Shanghai:异氰酸苄酯 Benzyl Isocyanate,>;99.0%(GC)(3173-56-6)
  • 存储注意事项:氮气保护;湿度敏感
  • Acros Organics:异氰酸苄酯 Benzyl isocyanate, 99+%(3173-56-6)
  • Alfa Aesar:苄基异氰酸酯,98% Benzyl isocyanate, 98%(3173-56-6)
  • 异氰酸苄酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0426 异氰酸苄酯 Benzyl Isocyanate 5G 580元 2014/06/02 I0426 异氰酸苄酯 Benzyl Isocyanate 25G 1610元 2010/06/21 210760250 异氰酸苄酯 Benzyl isocyanate 99+% 25 GR 2522元
  • MOL 文件:3173-56-6.mol
  • Sigma Aldrich:3173-56-6(sigmaaldrich)
  • F:10-21
  • 检测方法:GC,NMR
  • 用途一:用于合成医药、农药和高分子材料
  • 敏感性:Moisture Sensitive
  • 下游产品:杀草隆
  • 海关编码:29291090

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. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Imines/Amidines
  1. Functional Group 官能团索引
  2. isocyanate

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