Phenyl Isocyanate (剧毒品,不能销售)异氰酸苯酯

CAS 103-71-9 MFCD00001994

化学结构图

103-71-9
SMILES: O=C=NC1CCCCC1

化学属性

Mol. FormulaC7 H5 N O
Mol. Weight119.12
Refractive indexn20/D 1.535(lit.)
Boiling Point
Vapor Pressure1.4 mmHg ( 20 °C)
Density1.096 g/mL at 25 °C(lit.)
Melting PointNo Data Available
Flash Point51°(123°F)
TSCAYes
Solubility分解
pH:A

别名和识别编码

Chemical NamePhenyl Isocyanate
Synonym 1-Isocyanatobenzene AKOS 92485 Additive ti Benzene, isocyanato- Benzene,isocyanato- Carbanil Carbanil; Isocyanatobenzene; Phenylcarbimide; Phenylic mustard oil; Phenylisocyanate Fenylisokyanat ISO-CYANATOBENZENE ISOCYANIC ACID PHENYL ESTER Isocyanato-benzene Isocyanatobenzol Isocyanic acid, phenyl ester Isocyansäurephenylester Karbanil Mondur P PHENYL ISOCYANATE Phenyl Isocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7672
EC Number203-137-6
Beilstein Registry Number471391
MDL NumberMFCD00001994
CAS Number103-71-9
Merck Number14,7296
Chemical Name Translation(剧毒品,不能销售)异氰酸苯酯
Wiswesser Line NotationOCNR
InChIInChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
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分类

  • {Chemicalbook} 农药中间体: 植物生长调节剂中间体
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
  • {SA} Analytical Reagents, Analytical/Chromatography, Derivatization Reagents, Derivatization Reagents HPLC, UV-VIS
  • {SNA} 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/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiem

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H330 Fatal if inhaled 吸入致命
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • 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
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDA3675000
Precautionary statements
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • 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。
  • 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。
  • P305+P351+P338
Signal word Danger
Packing GroupI
UN Number 2487 UN2487 UN 2487 6.1/PG 1
Risk Statements
  • R10 Flammable 易燃
  • R26 Very toxic by inhalation 吸入极毒
  • R42/43
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R52 Harmful to aquatic organisms 对水生生物有害
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;
  • 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;
  • 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);
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时,佩带适当的呼吸器;
  • 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;
Storage condition +4°C 4 Flammables area Moisture Sensitive
Hazard Codes T+ T+,T,C
Hazard Class6.1
Restrict 剧毒化学品
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 196 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   17,258,1989

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 22 mg/m3/4H
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0530489

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528337

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 7130 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academ

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ABCHA6 Agricultural and Biological Chemistry.  (Maruzen Co. Ltd., POB 5050,
   Tokyo International, Tokyo 100-31, Japan)  V.25-    1961-
   Volume(issue)/page/year: 44,3017,1980

其他信息

  • 用途一:用于合成医药、农药和高分子材料等
  • Acros Organics:异氰酸苯酯 Phenylisocyanate,99%(103-71-9)
  • 图谱信息:异氰酸苯酯(103-71-9)核磁图( 13 CNMR) 异氰酸苯酯(103-71-9)红外图谱(IR1) 异氰酸苯酯(103-71-9)质谱(MS)
  • 方法一:其制备方法是用苯胺为原料,首先和盐酸生成苯胺盐酸盐,再和光气在一定温度下反应得到产品。
  • Hazard Note:Irritant
  • 类别:有毒物品
  • 急性毒性:口服-小鼠LD50: 196 毫克/公斤
  • 外观性质:无色液体,有刺激性气味。
  • 用途二:异氰酸苯酯是植物生长调节剂氯吡脲的中间体。
  • 方法二:由苯胺盐酸盐在溶剂甲苯中与光气反应而得。将苯胺溶于甲苯中,加热至70℃,通入干燥的氯化氢直至饱和。然后将混合物加热至沸,通入光气直至溶液变亮。将此溶液进行分馏,收集158-168℃馏分,即得异氰酸苯酯。收率83%。
  • 蒸气压:1.4 mm Hg ( 20 °C)
  • Sigma Aldrich:103-71-9(sigmaaldrich)
  • 下游产品:对三氟甲基苯胺 --> 绿麦隆 --> N-4-异丙基苯基-N',N'-二甲基脲 --> 除虫脲 --> N-苯基-N-1,2,3-噻二唑-5-脲 --> 氯吡脲 --> 溶剂黄 114 --> 1-(4-氯苄基)-1-环戊基-3-苯基脲 --> 3-甲基异恶唑-4-羧酸 --> 增白剂 BU,增白剂 PBU,4-苯胺基甲酰胺基-4'-(6-苯氨基-4-羟乙基-1,3,5-三嗪-2-氨基)-二苯乙烯-2,2'-二磺酸钠 --> 卡草胺 --> 双苯基脲 --> 4-苯基脲唑 --> 灭鼠优 --> 荧光增白剂 RS --> 尼鲁米特
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • MSDS 信息:异氰酸苯酯(103-71-9).msds
  • MOL 文件:103-71-9.mol
  • 异氰酸苯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 130690050 异氰酸苯酯 Phenyl isocyanate 99% 5 GR 297元 2010/06/21 130692500 异氰酸苯酯 Phenyl isocyanate 99% 250 GR 489元 2010/06/21 130691000 异氰酸苯酯 Phenyl isocyanate 99% 100 GR 327元
  • 存储注意事项:氮气保护
  • Alfa Aesar:异氰酸苯酯,98+% Phenyl isocyanate, 98+%(103-71-9)
  • 用途三:用作有机合成中间体。
  • F:21
  • 毒性分级:高毒
  • 灭火剂:干石粉、干粉、二氧化碳、干砂、1211灭火剂。(禁用酸碱灭火剂)。
  • 可燃性危险特性:明火可燃; 燃烧释放有毒氮氧化物烟雾
  • 敏感性:Moisture Sensitive

系列性分类