Phenyl Carbonochloridate 氯甲酸苯酯

CAS 1885-14-9 MFCD00000637

化学结构图

1885-14-9
SMILES: O=C(Cl)Oc1ccccc1

化学属性

Mol. FormulaC7H5ClO2
Mol. Weight156.57
Density1.248
Refractive index1.5100 to 1.5130
Vapor Density1 (vs air)
Boiling Point
Vapor Pressure1.22 psi ( 20 °C)
Flash Point75.56°C
TSCAYes
Melting PointNo Data Available
Solubility水解
Stability对湿度敏感,对热敏感

别名和识别编码

Chemical NamePhenyl Carbonochloridate
Synonym Phenyl Chloroformate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number1885-14-9
EC Number217-547-8
Beilstein Registry Number606778
MDL NumberMFCD00000637
PubChem Substance ID15891
Reaxys-RN606778
Chemical Name Translation氯甲酸苯酯
LabNetwork Molecule IDLN00226528
InChIInChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
Canonical SMILESO=C(Cl)OC1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carbonyl chloride; 1fragment
  • {SNA} Acid Halides, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用于有机合成产品的中间体。

相关文献及参考

  • Also used in the cleavage of tertiary amines: J. Chem. Soc. (C), 2015 (1967); cf Ethyl­ chloroformate, L06311, and 1-Chloroethyl­ chloroformate, L14197. Review: Synthesis, 1 (1989).
  • Precursor of phenyl mixed anhydrides, which can be used, e.g. in peptide coupling reactions.
  • Short: III/20b
  • Short: EINECS
  • Reagent for dehydration of primary amides to nitriles under mild conditions: Indian J. Chem., 40B, 722 (2001).
  • Beilstein: 6,IV,629

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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • 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
  • R26 Very toxic by inhalation 吸入极毒
  • R29 Contact with water liberates toxic gas. 遇水释放出有毒气体
  • 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
  • R37 Irritating to respiratory system 刺激呼吸道
  • R38 Irritating to skin 刺激皮肤
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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。
  • 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。
  • 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。
  • P301+P312
  • P301+P317
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P316
  • P317
  • 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
  • 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
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P233
  • P403+P235
  • P404 Store in a closed container. 贮存于密闭容器中。
  • 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.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H290 May be corrosive to metals 可能腐蚀金属。
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • 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
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSFG3850000
Packing GroupII
UN Number 2746 UN 2746 6.1/PG 2
Storage condition 2-8°C Moisture Sensitive N/A N/A℃ No Data Available Refrigerator {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes 6.1 T+
Hazard Class6.1/8
Warnings 危化品目录(2015)
Restrict 危险品

其他信息

  • 存储注意事项:氮气保护;湿度敏感
  • F:10-19-21
  • 可燃性危险特性:遇水, 或受热放出有毒氯化氢气体
  • TCI Shanghai:氯甲酸苯酯 Phenyl Chloroformate,>;98.0%(GC)(T)(1885-14-9)
  • 类别:有毒物品
  • Alfa Aesar:苯基氯甲酸酯,97% Phenyl chloroformate, 99%(1885-14-9)
  • 有刺激味，溶于醇、醚等溶剂中，不溶于水、受热分解。
  • 下游产品:亮丙瑞林 --> 对苯二甲醇 --> 利美尼啶 --> 卡马西泮 --> 富马酸扎莫特罗
  • Acros Organics:氯甲酸苯酯 Phenyl chloroformate, 99%(1885-14-9)
  • 氯甲酸苯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010346 氯甲酸苯酯;苯基氯甲酸酯 100ml 300元 2011/04/16 C0649 氯甲酸苯酯 Phenyl Chloroformate 500ML 1410元 2011/04/16 C0649 氯甲酸苯酯 Phenyl Chloroformate 25ML 240元
  • 外观性质:无色油状液体。
  • 海关编码:29159020
  • 蒸气压:1.22 psi ( 20 °C)
  • Sigma Aldrich:1885-14-9(sigmaaldrich)
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度; 眼睛-兔子 0.05 毫克/24小时 重度
  • 急性毒性:吸入-大鼠 LCL0: 44 PPM/4 分; 吸入-小鼠 LC 0.8 毫克/立方米/10 分
  • 图谱信息:氯甲酸苯酯(1885-14-9)质谱(MS) 氯甲酸苯酯(1885-14-9)Raman光谱 氯甲酸苯酯(1885-14-9)核磁图( 13 CNMR) 氯甲酸苯酯(1885-14-9)红外图谱(IR1)
  • MOL 文件:1885-14-9.mol
  • 用途一:用作有机合成试剂
  • 储运特性:库房通风低温干燥; 与氧化剂, 食品分开储运
  • 蒸气密度:1 (vs air)
  • 上游原料:二氯甲烷 --> 苯酚 --> 无水氯化钙 --> N,N-二甲基苯胺 --> 二(三氯甲基)碳酸酯
  • 毒性分级:高毒
  • 方法一:由苯酚与光气反应而得。将苯酚溶于氯仿，在冷却下通入光气，使吸收的光气量与苯酚等摩尔比，于5-10℃搅拌下滴加等摩尔的N，N-二甲基苯胺。然后加冷水稀释，分取油层，依次用稀盐酸和水洗涤。经无水氯化钙干燥后，蒸除氯仿，再减压蒸馏，收集74-75℃（1.73kPa）馏分，即为氯甲酸苯酯。收率90%左右。
  • MSDS 信息:氯甲酸苯酯(1885-14-9).msds
  • 用途二:用于有机合成。
  • 灭火剂:干粉, 砂土, 泡沫, 二氧化碳
  • 敏感性:Moisture Sensitive
  • 用途三:用于有机合成产品的中间体。

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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  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. Acid Halides 酸性卤化物(酰氯等)
  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. Functional Group 官能团索引
  2. CO2 derivative (general)
  1. carbonic acid ester halide (alkyl/aryl haloformate)

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