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4-Chlorophenyl isocyanate

CAS No.
104-12-1
Chemical Name:
4-Chlorophenyl isocyanate
Synonyms
1-Chloro-4-isocyanatobenzene;P-CHLOROPHENYL ISOCYANATE;PCPI;4-Chlorphenylisocyanate;PARA CHLOROPHENYL ISOCYANATE;pcic;4-Chlorophenyl isocy;p-Chlorfenylisokyanat;4-Chlorphenylisocyanat;chlorophenylisocyanate
CBNumber:
CB6680525
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.57
MDL Number:
MFCD00002024
MOL File:
104-12-1.mol
MSDS File:
SDS
Last updated:2024-04-23 14:28:52

4-Chlorophenyl isocyanate Properties

Melting point 26-29 °C (lit.)
Boiling point 203-204 °C (lit.)
Density 1.2 g/mL at 25 °C (lit.)
vapor pressure 30Pa at 20℃
refractive index n20/D 1.5618(lit.)
Flash point >230 °F
storage temp. 2-8°C
solubility Chloroform (Slightly)
form Crystalline Solid
color White to yellow
Odor sharp irritating odor
Water Solubility DECOMPOSES
Sensitive Moisture Sensitive/Lachrymatory
BRN 386235
LogP 3.12 at 22℃
CAS DataBase Reference 104-12-1(CAS DataBase Reference)
EWG's Food Scores 1-3
FDA UNII W46XL60WI8
NIST Chemistry Reference Benzene, 1-chloro-4-isocyanato-(104-12-1)
EPA Substance Registry System p-Chlorophenyl isocyanate (104-12-1)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS05,GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H301-H315-H318-H330-H334-H335-H410
Precautionary statements  P260-P273-P280-P302+P352-P304+P340+P310-P305+P351+P338
Hazard Codes  T+,T,C
Risk Statements  25-26-37/38-41-42-52/53
Safety Statements  23-26-28-36/37/39-45-61-38-37/39-28A-22
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  NQ8575000
10-19-21
Hazard Note  Toxic/Corrosive/Lachrymatory/Moisture Sensitive
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29291090
Toxicity mammal (species unspecified),LC50,inhalation,53mg/m3 (53mg/m3),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 11(4), Pg. 23, 1967.
NFPA 704
1
4 0

4-Chlorophenyl isocyanate price More Price(20)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 152277 4-Chlorophenyl isocyanate 98% 104-12-1 5g $54.2 2024-03-01 Buy
Sigma-Aldrich 152277 4-Chlorophenyl isocyanate 98% 104-12-1 100g $116 2024-03-01 Buy
Alfa Aesar A14966 4-Chlorophenyl isocyanate, 98% 104-12-1 5g $21.65 2024-03-01 Buy
Alfa Aesar A14966 4-Chlorophenyl isocyanate, 98% 104-12-1 25g $41.65 2024-03-01 Buy
Alfa Aesar A14966 4-Chlorophenyl isocyanate, 98% 104-12-1 100g $104.65 2024-03-01 Buy
Product number Packaging Price Buy
152277 5g $54.2 Buy
152277 100g $116 Buy
A14966 5g $21.65 Buy
A14966 25g $41.65 Buy
A14966 100g $104.65 Buy

4-Chlorophenyl isocyanate Chemical Properties,Uses,Production

Chemical Properties

white to yellow crystalline solid

Uses

4-Chlorophenyl isocyanate was used in the preparation of isothiocyanates.

Uses

4-Chlorophenyl isocyanate is used in the preparation of isothiocyanates. Aryl isocyanates undergo [2+2] cycloaddition reactions with dihydrofuran to give bicyclic ?-lactams in high yield.

Synthesis Reference(s)

The Journal of Organic Chemistry, 34, p. 3200, 1969 DOI: 10.1021/jo01262a089

General Description

Colorless to yellow liquid or crystals. Used as an intermediate in pesticide and pharmaceutical manufacture.

Reactivity Profile

Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

Safety Profile

Poison by ingestion and inhalation. Unspecified human systemic effects. A severe eye and moderate skin irritant. A flammable liquid when exposed to heat or flame. Dangerous, can explode on distillation. When heated to decomposition it emits toxic fumes of Cl-, CN-, and NOx.

Purification Methods

Purify the isocyanate by recrystallisation from pet ether (b 30-40o) or better by fractional distillation. TOXIC irritant. [Beilstein 12 H 616, 12 III 1376, 12 IV 1213.]

32315-10-9
106-47-8
104-12-1
Synthesis of 4-Chlorophenyl isocyanate from Triphosgene and 4-Chloroaniline
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View Lastest Price from 4-Chlorophenyl isocyanate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Chlorophenyl isocyanate pictures 2024-04-23 4-Chlorophenyl isocyanate
104-12-1
US $10.00 / kg 1kg 99.6% 100000 Ouhuang Engineering Materials (Hubei) Co., Ltd
4-Chlorophenyl isocyanate pictures 2023-08-18 4-Chlorophenyl isocyanate
104-12-1
US $10.00 / KG 1KG 99.% 10 ton Hebei Guanlang Biotechnology Co,.LTD
4-Chlorophenyl isocyanate pictures 2023-08-18 4-Chlorophenyl isocyanate
104-12-1
US $10.00 / kg 1kg 99% 1000tons Henan Bao Enluo International TradeCo.,LTD
1-chloro-4-isocyanato-benzen 1-Chloro-4-isocyanato-benzene 4-chloroisocyanatobenzene 4-Chloro-iso-cyanatobenzene benzene,1-chloro-4-isocyanato Phenylisocyanate,4-chloro- ISOCYANIC ACID 4-CHLOROPHENYL ESTER 4-ISOCYANATO CHLOROBENZENE 4-CHLOROPHENYL ISOCYANATE 4-Chlorphenylisocyanat 4-Chlorobenzenisocyanate P-CHLOROPHENYL ISOCYANATE (PCPI) 4-Chlorophenyl isocyanate, 98% 100GR 4-Chlorophenyl isocyanate, 98% 25GR 4-Chlorophenyl isocyanate,98% 4-Chlorophenyl isocyanate,pract. 4-Chlorophenyl isocy 4-Chlorophenyl isocyate 4-Chlorophenyl isocyanate 98% benzene,1-chloro-4-isocyanato- chlorophenylisocyanate chlorophenylisocyanate(non-specificname) isoacyanicacid,p-chlorophenylester Isocyanic acid, p-chlorophenyl ester isocyanicacid,p-chlorophenylester p-Chlorfenylisokyanat p-chlorfenylisokyanat(czech) pcic 4-ChlorophenylIsocyanate> 1-Chloro-4-isocyanatobenzene 4-Chlorphenylisocyanate P-CHLOROPHENYL ISOCYANATE PARA CHLOROPHENYL ISOCYANATE PCPI 104-12-1 104-21-1 203-176-9 104-21-1 ClC6H4NCO Organic Building Blocks Isocyanates Nitrogen Compounds ARYL ISOCYANATE Building Blocks organic chemical Building Blocks Chemical Synthesis Isocyanates Nitrogen Compounds Organic Building Blocks