Propyl Isocyanate 异氰酸丙酯

CAS 110-78-1 MFCD00002045

化学结构图

110-78-1
SMILES: CCCN=C=O

化学属性

Mol. FormulaC4H7NO
Mol. Weight85.11
Density0.908
Refractive index1.3930 to 1.3960
Boiling Point83-84
Flash Point0°C(lit.)
Melting Point-30 ºC
Solubility起反应 VIGOROUSLY

别名和识别编码

Chemical NamePropyl Isocyanate
CAS Number110-78-1
Alfabeta NameISOCYANATOPROPANE 1-
MDL NumberMFCD00002045
EC Number203-803-6
Beilstein Registry Number4(1)366
Synonym 1-Propyl isocyanate Isocyanocacidpropylester 1-Isocyanato-propane m-Propyl isocyanate 异氰酸丙酯; 丙基异氰酸酯; 异氰酸正丙酯 Propane, 1-isocyanato- Isocyanic acid, propyl ester 1-Isocyanatopropane N-PROPYL ISOCYANATE N-PROPYLCARBIMIDE Isocyansäurepropylester n-Propyl isocyanate Propyl isocyanate n-Propylisocyanat Isocyanatopropane 1-isocyanato-propan 丙基异氰酸酯 ISOCYANIC ACID PROPYL ESTER 1-propylisocyanate 异氰酸酯 n-pic Propyl carbimide Isocyanic acid n-propyl ester 异氰酸丙酯 PROPYL ISOCYANATE propane,1-isocyanato- Isocyanatoisopropane 异氰酸正丙酯
PubChem Substance ID87571527
Reaxys-RN1098489
Chemical Name Translation异氰酸丙酯
Wiswesser Line NotationOCN3
LabNetwork Molecule IDLN00141069
InChIKeyOQURWGJAWSLGQG-UHFFFAOYSA-N
InChIInChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
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分类

  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 酰胺类杀菌剂
  • {uni_hamburg} no charge; isocyanate; 1fragment
  • {SA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source

安全信息

Warnings TOXIC BY INHALATION, FLAMMABLE, STORED UNDER ARGON 危化品目录(2015) 危险化学品
Signal word
GHS Symbol
WGK Germany1
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;
  • S36/37/39 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);
  • 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;
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时,佩带适当的呼吸器;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R14 Reacts violently with water 遇水会猛烈反应
  • R11 Highly flammable 非常易燃
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • 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
  • R42/43
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R34 Causes burns 会导致灼伤
  • R26 Very toxic by inhalation 吸入极毒
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P337+P313
  • P403+P233
  • P303+P361+P353
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P352+P333+P313+P362+P364
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • 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。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P342+P311
  • P305+P351+P338+P337+P313
  • P241+P242+P243
  • P301+P310+P330
  • P405 Store locked up. 上锁保管。
  • P304+P340+P311
  • P233 Keep container tightly closed. ?保持容器密闭。
  • 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。
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302+H312+H332
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNR0190000
Hazard Codes F,Xn F;T+
UN Number 2482
Storage condition 0-10 Flammables area 0-10°C
Packing GroupI
Hazard Class6.1/3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02916

其他信息

  • Sigma Aldrich:110-78-1(sigmaaldrich)
  • F:19
  • 外观性质:无色液体,有葱的气味。
  • Acros Organics:异氰酸正丙酯 n-Propyl isocyanate, 99%(110-78-1)
  • 毒性分级:高毒
  • 急性毒性:静注-小鼠 LD50: 56 毫克/公斤
  • 异氰酸丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0139 异氰酸丙酯 Propyl Isocyanate 250ML 2620元 2014/06/02 I0139 异氰酸丙酯 Propyl Isocyanate 25ML 609元 2010/06/21 131600050 异氰酸丙酯 n-Propyl isocyanate 99% 5 GR 434元
  • 灭火剂:干粉, 二氧化碳; 1211; 泡沫
  • 上游原料:氮 --> 异丙胺 --> 异氰酸异丙酯
  • 类别:易燃液体
  • 方法一:其制备方法是将二甲苯和异丙胺投入反应釜中,当温度降至15℃以下滴加盐酸,温度不超过25℃,加热共沸脱水,直至脱水至尽为止,降温至常温,把物料转入异丙基异氰酸酯反应釜中,升温至80℃,通入光气,物料透明清澈即为终点。用氮气赶光气及氯化氢,直至尾气呈中性,降温至室温后,将物料转入蒸馏釜,蒸馏收集74~78℃馏分即为产品。
  • TCI Shanghai:异氰酸丙酯 Propyl Isocyanate,>;98.0%(GC)(110-78-1)
  • 图谱信息:异氰酸丙酯(110-78-1)核磁图( 13 CNMR) 异氰酸丙酯(110-78-1)核磁图( 1 HNMR) 异氰酸丙酯(110-78-1)质谱(MS) 异氰酸丙酯(110-78-1)红外图谱(IR1)
  • 下游产品:氯磺丙脲
  • 爆炸物危险特性:与空气混合可爆
  • MOL 文件:110-78-1.mol
  • 用途一:异丙基异氰酸酯是杀菌剂异菌脲的中间体。
  • MSDS 信息:丙基异氰酸酯(110-78-1).msds
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运存放
  • 可燃性危险特性:易燃;

系列性分类


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