Isobutyl Chloroformate 氯甲酸异丁酯

CAS 543-27-1 MFCD00000642

化学结构图

543-27-1
SMILES: CC(C)COC(=O)Cl

化学属性

Mol. FormulaC5H9ClO2
Mol. Weight137
Density1.053
Refractive index1.4060 to 1.4080
Boiling Point129
Vapor Pressure0.33 mmHg ( 20 °C)
Flash Point35°C(lit.)
TSCAYes
Melting Point-80°C
Solubility溶于热乙醇、苯、氯仿，可混溶于乙醚。
Stability对湿度和热敏感
Danger-Level甲类

别名和识别编码

Chemical NameIsobutyl Chloroformate
Synonym iso-butyl chloroformate 氯甲酸異丁酯 chlorocarbonicacidisobutylester ISOBUTYL CHLOROCARBONATE 氯碳酸異丁酯 isobutyl chloformate Carbonochloridic acid, 2-methylpropyl ester 氯代甲酸异丁酯 ISOBUTYL CHLOROFORMATE 异丁基氯甲酸酯;氯代甲酸异丁酯;氯甲酸-2-甲基丙基酯;氯碳酸异丁酯;氯蚁酸异丁酯 Isobutyl chloridocarbonate IBCF Isobutoxycarbonyl chloride Isobutyl chloroformate 98% Isobutyl chlorocarbonate 2-methylpropyl chloroformate #niso-Butyl chloroformate 氯甲酸-2-甲基丙基酯 NSC 8429 2-methyl-1-propylchlorocarbonate Isobutyloxycarbonyl chloride 氯代甲酸异丁酯(0404仍禁运) Isobutylchloroformate,~90% 2-methylpropylchloroformate Isobutyl-chlorformiat Isobutylchloroformate99% CHLOROFORMIC ACID ISOBUTYL ESTER carbonochloridic acid isobutyl ester Isobutylchlorformiat Carbonochloridic acid 2-methylpropyl- Chlorocarbonic acid isobutyl ester 氯碳酸异丁酯 2-Methylpropyl chloroformate Chloroformic acid isobutyl ester Isobutylchloroformiat Carbonochloridic acid 2-methylpropyl ester; Isobutyl chlorocarbonate Isobutyl chloroformate 异丁基氯甲酸酯 chlorocarbonic acid isobutyl ester 2-Methylpropyl carbonochloridate 氯甲酸异丁酯 Isobutyl chloocarbonate 2-methyl-1-propyl chlorocarbonate Formic acid, chloro-, isobutyl ester 氯蚁酸异丁酯 Chlorameisensäureisobutylester Isobutylchloroformate,98% carbonochloridic acid 2-methylpropyl ester
MDL NumberMFCD00000642
CAS Number543-27-1
EC Number208-840-1
Beilstein Registry Number193698
PubChem Substance ID62365
Merck Number5139
Reaxys-RN956590
Chemical Name Translation氯甲酸异丁酯
LabNetwork Molecule IDLN00194865
InChIInChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
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分类

  • {uni_hamburg} no charge; 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。

相关文献及参考

  • Merck:14,5139
  • Short: III/20a
  • Merck:14,5139 Beilstein:3,12
  • Has been used to protect a nucleoside OH group as its isobutyl carbonate. Cleavage was by hydrolysis with 80% AcOH: J. Org. Chem., 32, 2365 (1967). Protection of amino groups as their isobutyl carbamates has also been reported: J. Am. Chem. Soc., 91, 3356 (1969).
  • Short: II/14a
  • Short: III/38B
  • Superior to ethyl chloroformate in the mixed anhydride method of peptide synthesis: Org. Prep. Proced. Int., 7, 215 (1975); review: Org. React., 12, 157 (1962). Use in combination with 1-Methyl­piperidine, L03398, minimizes competing urethane formation, arising from cleavage of the mixed anhydride in the wrong sense: J. Org. Chem., 48, 2939 (1983). Addition of CuCl2 is reported to suppress racemization completely: Chem. Lett., 2125 (1989). For peptide reagents, see Appendix 6.

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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）；
  • 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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Risk Statements
  • R10 Flammable 易燃
  • R22 Harmful if swallowed 吞咽有害
  • R23 Toxic by inhalation 吸入有毒
  • 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
  • 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
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+P242+P243
  • 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。
  • 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。
  • 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。
  • P370+P378
  • 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
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H331 Toxic if inhaled 吸入中毒
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupII
UN Number 2742 3390 UN2742
Storage condition Moisture Sensitive 储存温度2-8°C ,充氩储存,定期通气 储存温度2-8°C 0-10°C 0-10 2-8°C
Hazard Codes 6.1 T
Hazard Class6.1/3, 8
Warnings 危化品目录(2015)
Restrict 危险品

其他信息

  • 氯甲酸异丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80025282 氯甲酸异丁酯;氯蚁酸异丁酯;氯碳酸异丁酯 100g 95元 2011/04/16 C0178 氯甲酸异丁酯 Isobutyl Chloroformate 25G 155元 2011/04/16 C0178 氯甲酸异丁酯 Isobutyl Chloroformate 500G 960元
  • Alfa Aesar:氯甲酸异丁酯,98% Isobutyl chloroformate, 98%(543-27-1)
  • 存储注意事项:氮气保护;湿度敏感
  • Sigma Aldrich:543-27-1(sigmaaldrich)
  • 下游产品:头孢匹胺
  • 外观性质:无色液体, 有刺激性气味。
  • 有刺激性气味，蒸汽压0.87kPa/20℃，溶于热乙醇、苯、氯仿，可混溶于乙醚。
  • MSDS 信息:氯甲酸异丁酯(543-27-1).msds
  • MOL 文件:543-27-1.mol
  • F:10-19
  • 有刺激性气味，蒸汽压0.87kPa/20℃，，溶于热乙醇、苯、氯仿，可混溶于乙醚。
  • 用途一:用于有机合成
  • 图谱信息:氯甲酸异丁酯(543-27-1)质谱(MS) 氯甲酸异丁酯(543-27-1)核磁图( 13 CNMR) 氯甲酸异丁酯(543-27-1)核磁图( 1 HNMR) 氯甲酸异丁酯(543-27-1)红外图谱(IR1)
  • 检测方法:GC,NMR
  • 敏感性:Moisture Sensitive
  • Acros Organics:氯代甲酸异丁酯（禁运） Isobutyl chloroformate, 98%(543-27-1)
  • 蒸气压:0.33 mm Hg ( 20 °C)

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. 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. Analytical & Chromatography 分析化学与色谱
  2. GC Derivatizing Reagents
  1. Functional Group 官能团索引
  2. CO2 derivative (general)
  1. carbonic acid ester halide (alkyl/aryl haloformate)