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


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