Benzoyl Isothiocyanate 苯甲酰基异硫氰酸酯

CAS 532-55-8 MFCD00004815

化学结构图

532-55-8
SMILES: O=C(N=C=S)c1ccccc1

化学属性

Mol. FormulaC8H5NOS
Mol. Weight163
Boiling Point128-131
TSCAT
Density1.214
Refractive index1.6360 to 1.6390
Flash Point>110°(230°F)
SolubilityALMOST 不溶
Melting Point128 °C

别名和识别编码

Chemical NameBenzoyl Isothiocyanate
CAS Number532-55-8
Alfabeta NameBENZOYLISOTHIOCYANATE
MDL NumberMFCD00004815
Synonym Benzoic acid, anhydride with isothiocyanic acid Benzoylisothiocyante Benzoylthiocarbimide ISOTHIOCYANIC ACID BENZOYL ESTER Isothiocyanic acid benzoyl ester Isothiocyanic acid, anhydride with benzoic acid N-BENZOYLISOTHIOCYANATE N-Benzoyl isothiocyanate {} {} {} {} {uni_hamburg} 异硫代氰酸苄酯 苯甲酰基异硫氰酸酯 苯甲酰异硫氰酸酯 苯酰异硫氰酸酯
EC Number208-540-0
Beilstein Registry Number606716
PubChem Substance ID87571850
Merck Number1114
Reaxys-RN606716
Chemical Name Translation苯甲酰基异硫氰酸酯
LabNetwork Molecule IDLN00008087
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment
  • Miscellaneous Reagents
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates

相关文献及参考

  • Short: EINECS
  • Short: III/35E
  • Reactive isothiocyanate. Reaction with active methylene compounds such as ethyl cyanoacetate, malononitrile or acetylacetone gives N-benzoylthioamides which are useful intermediates in heterocyclic synthesis: Synthesis, 228 (1987). See also Ethyl­ 4-nitrophenyl­glyoxyl­ate, L07579.

安全信息

Warnings KEEP COLD, LACHRYMATOR, TOXIC
Signal word Danger
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；
  • 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
  • R25 Toxic if swallowed 吞咽有毒
  • R32 Contact with acids liberates very toxic gas 与酸接触释放出毒性很高的气体
  • R34 Causes burns 会导致灼伤
  • R36 Irritating to eyes 刺激眼睛
  • 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 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R42/43
  • 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+P310
  • P301+P310+P330
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301+H331
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
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 2810
Storage condition Moisture Sensitive Keep Cold
Hazard Codes 6.1 T T,Xi
Hazard Class6.1

其他信息

  • 苯甲酰基异硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0501 异硫氰酸苯甲酰酯 Benzoyl Isothiocyanate 5G 338元 2014/06/02 I0501 异硫氰酸苯甲酰酯 Benzoyl Isothiocyanate 25G 1020元 2010/06/21 314630500 苯甲酰基异硫氰酸酯 Benzoyl isothiocyanate 98% 50 GR 2843元
  • 敏感性:Moisture Sensitive/Lachrymatory
  • 存储注意事项:湿度敏感
  • TSCA:T
  • 海关编码:29309070
  • 用途一:用于合成农药、医药、染料等
  • 图谱信息:苯甲酰基异硫氰酸酯(532-55-8)质谱(MS) 苯甲酰基异硫氰酸酯(532-55-8)红外图谱(IR1)
  • MSDS 信息:Benzoyl isothiocyanate(532-55-8).msds
  • MOL 文件:532-55-8.mol
  • Acros Organics:异硫氰酸苯甲酰酯 Benzoyl isothiocyanate, 98%(532-55-8)
  • Hazard Note:Lachrymatory/Moisture Sensitive
  • Sigma Aldrich:532-55-8(sigmaaldrich)
  • TCI Shanghai:苯甲酰基异硫氰酸酯 Benzoyl Isothiocyanate,>;97.0%(GC)(532-55-8)
  • 检测方法:GC,NMR
  • Alfa Aesar:苯甲酰异硫氰酸酯,98% Benzoyl isothiocyanate, 98%(532-55-8)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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. Sulfur Compounds 硫化合物
  5. Thiocyanates/Isothiocyanates - 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. Thiocarbonyl Compounds
  1. Functional Group 官能团索引
  2. isothiocyanate

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