4-Chlorophenyl Isocyanate 4-氯苯基异氰酸酯

CAS 104-12-1 MFCD00002024

化学结构图

104-12-1
SMILES: O=C=Nc1ccc(Cl)cc1

化学属性

Mol. FormulaClC6H4NCO
Mol. Weight154
Density1.2
Refractive indexn20/D 1.5618(lit.)
Boiling Point117°C/45mmHg(lit.)
Melting Point26-29
Flash Point90°(194°F)
TSCAYes
Solubility分解
Stability对湿度敏感

别名和识别编码

Chemical Name4-Chlorophenyl Isocyanate
CAS Number104-12-1
EC Number203-176-9
Beilstein Registry Number12(3)1376
MDL NumberMFCD00002024
Synonym chlorophenylisocyanate isocyanicacid,p-chlorophenylester 1-Chloro-4-isocyanato-benzene Phenylisocyanate, 4-chloro- P-CHLOROPHENYL ISOCYANATE 4-Chloro-iso-cyanatobenzene Isocyanic acid, p-chlorophenyl ester 4-Isocyanato chlorobenzene PCPI p-chlorfenylisokyanat(czech) 1-Chlor-4-isocyanatobenzol isocyanic acid, p-chlorophenyl ester 4-Chlorphenylisocyanate PARA CHLOROPHENYL ISOCYANATE 4-氯苯基异氰酸酯 4-Chloroisocyanatobenzene 1-chloro-4-isocyanatobenzene benzene,1-chloro-4-isocyanato 4-chloroisocyanatobenzene 4-Chlorphenylisocyanat 1-Chloro-4-isocyanatobenzene 4-CHLOROPHENYL ISOCYANATE 4ˊ-氯异氰酸苯酯 异氰酸-4-氯苯酯 benzene, 1-chloro-4-isocyanato- 4-chloro-phenyl isocyanate
PubChem Substance ID125309546
Alfabeta NameCHLOROPHENYLISOCYANATE 4-
Chemical Name Translation4-氯苯基异氰酸酯
Reaxys-RN386235
Wiswesser Line NotationOCNR DG
LabNetwork Molecule IDLN00007982
InChIInChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 苯甲酰脲类杀虫剂

相关文献及参考

  • Short: III/35E
  • {
  • Short: III/20b
  • Short: III/35B
  • For general chemistry of isocyanates, see Appendix 3.
  • Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ß-lactams in high yield: Nippon Kagaku Kaishi, 459 (1995):
  • Beilstein:12(3)1376

安全信息

Signal word
GHS Symbol
WGK Germany3
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;
  • S63
  • 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);
  • 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;
  • 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;
  • 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;
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R26 Very toxic by inhalation 吸入极毒
  • 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
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R50/53
  • R52/53
Precautionary statements
  • P304+P340+P310
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P305+P351+P338+P310
  • 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。
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P301+P312+P330
  • P403+P233
  • 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。
  • P302+P350
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H330 Fatal if inhaled 吸入致命
  • 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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSNQ8575000
Packing GroupII
UN Number 2206 UN 2811 6.1/PG 2
Storage condition Moisture Sensitive 0-10 对水分敏感,干燥保存。 2-8°C 0-10°C
Hazard Codes T+ T+,T,C
Warnings MOISTURE SENSITIVE, TOXIC
Hazard Class6.1
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 62500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Cle

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 113 mg/m3/4H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - other changes
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555462

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 138 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - gastritis
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528437

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 800 ug/m3/1M
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Springfield, VA)  1964-71. Discontinued.  Volume(issue)/page/year:
   31(7-9),481,1966

其他信息

  • 图谱信息:对氯苯异氰酸酯(104-12-1)质谱(MS) 对氯苯异氰酸酯(104-12-1)红外图谱(IR1) 对氯苯异氰酸酯(104-12-1)红外图谱(IR2) 对氯苯异氰酸酯(104-12-1)核磁图( 1 HNMR) 对氯苯异氰酸酯(104-12-1)红外图谱(IR3) 对氯苯异氰酸酯(104-12-1)核磁图( 13 CNMR)
  • Alfa Aesar:4-氯苯基异氰酸酯,98% 4-Chlorophenyl isocyanate, 98%(104-12-1)
  • 方法一:其制备方法是在反应釜中加入对氯苯胺和甲苯,搅拌,使对氯苯胺溶解,然后在低温通光气,通入一定量光气后转入热反应器,升温到 105℃左右,物料变透明,再回流一定时间,通入氮气赶光气,冷却得到产品。
  • 用途二:对氯苯异氰酸酯是灭幼脲、除虫脲的中间体。
  • 敏感性:Moisture Sensitive/Lachrymatory
  • 下游产品:氟脲杀
  • MOL 文件:104-12-1.mol
  • MSDS 信息:4-Chlorophenyl isocyanate(104-12-1).msds
  • Hazard Note:Toxic/Corrosive/Lachrymatory/Moisture Sensitive
  • F:10-19-21
  • 用途一:用于有机合成,主要用作医药、农药等中间体
  • 对氯苯异氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0121 异氰酸4-氯苯酯 4-Chlorophenyl Isocyanate 25G 245元 2014/06/02 I0121 异氰酸4-氯苯酯 4-Chlorophenyl Isocyanate 500G 931元 2010/06/21 166561000 对氯苯异氰酸酯 4-Chlorophenyl isocyanate 98% 100 GR 382元
  • TCI Shanghai:异氰酸-4-氯苯酯 Isocyanic Acid 4-Chlorophenyl Ester,>;97.0%(GC)(T)(104-12-1)
  • 用途三:用作有机合体的中间体。
  • 上游原料:光气(无法供) --> 4-氯苯胺
  • Acros Organics:4-Chlorophenyl isocyanate, pract.(104-12-1)
  • Sigma Aldrich:104-12-1(sigmaaldrich)

系列性分类