Carbobenzoxy Chloride 氯甲酸苄酯

CAS 501-53-1 MFCD00000640

化学结构图

501-53-1
SMILES: O=C(Cl)OCC1CCCCC1

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight170.59
Refractive index1.5160 to 1.5200
Boiling Point
Density1.195
Flash Point91.67°C
TSCAYes
Melting PointNo Data Available
Vapor Density1 (vs air)
Vapor Pressure1.39 psi ( 20 °C)
Solubility分解
Stability对热敏感,易吸潮
pH:A

别名和识别编码

Chemical NameCarbobenzoxy Chloride
Synonym Benzyl Chloroformate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number501-53-1
PubChem Substance ID87560103
Beilstein Registry Number509751
MDL NumberMFCD00000640
EC Number207-925-0
Reaxys-RN509751
Merck Number1801
Chemical Name Translation氯甲酸苄酯
LabNetwork Molecule IDLN00163782
InChIInChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
Canonical SMILESO=C(Cl)OCC1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carbonyl chloride; 1fragment
  • {SNA} Amine Protection, Chemical Biology, Chemical Synthesis, Others, Peptide Chemistry, Protecting and Derivatizing Reagents, Protection and Derivatization, Synthetic Reagents
  • {SNA} Amine Protection, Chemical Biology, Chemical Synthesis, Other Protecting and Derivatizing Reagents, Peptide Chemistry, Protecting and Derivatizing Reagents, Protection and Derivatization, Synthetic Reagents
  • Amine Protection, Chemical Biology, Chemical Synthesis, Others, Peptide Chemistry, Protecting and Derivatizing Reagents, Protection and Derivatization,

产品应用

  • 用于有机合成的中间体。

相关文献及参考

  • 2. Synthesis , 3453, (2006)
  • Short: III/20a
  • Short: III/20b
  • Merck: 14,1801
  • Merck: 14,1801 Beilstein: 6,IV,2278

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H350 May cause cancer 可能致癌
  • H361d Suspected of damaging the unborn child 怀疑对未出生婴儿造成伤害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Hazard Codes 8 F,T,N F;T;N T,C,N,F T,N
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。
  • 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。
  • P301+P330+P331+P310
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • 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。
  • P370+P378
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • 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.....
Signal word Danger Warning
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 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）；
  • S46 If swallowed, seek medical advice immediately and show this container or label 食入时，立即求医并出示容器/标签；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20 Harmful by inhalation 吸入有害
  • R23 Toxic by inhalation 吸入有毒
  • 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R45 May cause cancer 可能致癌
  • R48/20
  • R48/22
  • R50/53
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
UN Number 1739 2920 UN 2924 3/PG 2 UN1739
RTECSLQ5860000
Storage condition +4°C 2-8°C 4 4℃ Moisture Sensitive {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupI
Hazard Class8
Warnings 危化品目录(2015)
Restrict 危险品

其他信息

  • 氯甲酸苄酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010347 氯甲酸苄酯 100ml 105元 2011/08/23 xw01034760 氯甲酸苄酯 500ml 268元 2011/04/16 B3021 氯甲酸苄酯 Benzyl Chloroformate 250G 498元
  • 毒性分级:中毒
  • 灭火剂:二氧化碳、干粉
  • 下游产品:1-甲基哌嗪-2-酮 --> (R)-1-Boc-3-氨基吡咯烷 --> 2-甲氧基-4-(2-氨基乙基)苯酚 --> Β-丙氨酸叔丁酯盐酸盐 --> 甲巯丙脯酸 --> 1-甲基-[4,4']联哌啶 --> 赖诺普利 --> (R)-1-Boc-哌嗪-2-羧酸 --> 4-(溴甲基)哌啶甲酸苄酯 --> 盐酸甲基苄肼 --> 4-Boc-氨甲基哌啶 --> 2-(叔丁氧羰基氨基甲基)-哌啶 --> N-苄氧羰基-3-氨基丙醛 --> 氨曲南 --> 1-叔丁氧羰基-4-苄氧羰基-2-哌嗪羧酸 --> 克拉霉素 --> 噻肟单酰胺菌素 --> N-Cbz-哌啶-4-羧酸 --> 苄基-1-哌嗪碳酸酯 --> N-CBZ-L-丙氨酸 --> 氨基甲酸苄酯
  • 检测方法:T
  • 可燃性危险特性:遇热分解二氧化碳和有毒的氯化物和光气蒸气; 遇水放出有毒,腐蚀性氯化氢气体
  • MSDS 信息:氯甲酸苄酯(501-53-1).msds
  • 蒸气压:1.39 psi ( 20 °C)
  • 用途二:用作半合成抗菌素中间体
  • 方法一:1.由光气和苄醇反应而得。先用甲苯（经干燥处理）在较低温度下吸收光气，用重量法确定吸收光气量。吸足光气后很快加入苄醇，在冰浴中保持0.5h，再于室温下保持2h。在60℃以下减压蒸除氯化氢、过量的光气及溶剂甲苯，再收集101-103℃（2.67kPa）的馏分，即得产品，产率91%-94%。2.苄醇和氯甲酸三氯甲酯反应法。
  • 用途一:在抗生素合成中作氨基保护剂，也用于农药中间体
  • 用途四:用于有机合成的中间体。
  • Acros Organics:氯甲酸苄酯 Benzylchloroformate,stabilized,97wt%(501-53-1)
  • 类别:腐蚀物品
  • 外观性质:无色至浅黄色液体，有刺激性气味，具有催泪性。
  • 有刺激性气味，溶于酮、醚等有机溶剂中，在水和乙醇中分解。
  • Alfa Aesar:氯甲酸苄酯,95%,以大约0.1%碳酸钠做稳定剂 Benzyl chloroformate, 95%, stab. with ca 0.1% sodium carbonate(501-53-1)
  • 蒸气密度:1 (vs air)
  • 图谱信息:氯甲酸苄酯(501-53-1)质谱(MS)
  • MOL 文件:501-53-1.mol
  • 爆炸物危险特性:在铁盐催化下激烈分解爆炸; 本身具有强腐蚀性和刺激性; 热不稳定
  • 上游原料:101 --> 氯甲酸三氯甲酯
  • 急性毒性:口服- 大鼠 LD50: 3000 毫克/ 公斤; 吸入- 大鼠 LC50: 590 毫克/立方米/4小时
  • F:19
  • TCI Shanghai:氯甲酸苄酯 Benzyl Chloroformate,>;96.0%(GC)(T)(501-53-1)
  • 存储注意事项:湿度敏感
  • 敏感性:Moisture Sensitive
  • Sigma Aldrich:501-53-1(sigmaaldrich)
  • 用途三:农药中间体。在抗生素合成中用作氨基保护剂。
  • 储运特性:库房通风低温干燥; 与氧化剂、碱分开存放

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Protection and Derivatization - Synthetic Reagents
  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. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Amine Protection - Peptide Chemistry
  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. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Protection and Derivatization - Synthetic Reagents
  4. Protecting and Derivatizing Reagents - Protection and Derivatization
  5. Others - Protecting and Derivatizing Reagents
  1. Functional Group 官能团索引
  2. CO2 derivative (general)
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Peptide Synthesis
  1. carbonic acid ester halide (alkyl/aryl haloformate)

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