ChemicalBook > CAS DataBase List > 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

Product Name
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
CAS No.
327-78-6
Chemical Name
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Synonyms
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene;JC0002;Sorafenib INT1;Regorafenib Impurity 61;Sorafenib intermediate 3;Sorafenib related compound 36;2-nitro-4-chlorophenylaceticacid;4-Chloro-3-(trifluoromethyl)benzene;4-chloro-a,a,a-trifluoro-M-tolyl ester;4-Chloro-α,α,α-trifluoro-m-tolyl isocyanate
CBNumber
CB8262374
Molecular Formula
C8H3ClF3NO
Formula Weight
221.56
MOL File
327-78-6.mol
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4-Chloro-3-(trifluoromethyl)phenyl isocyanate Property

Melting point:
40-42 °C(lit.)
Boiling point:
86-90 °C14 mm Hg(lit.)
Density 
1.4720 (estimate)
vapor pressure 
91Pa at 20℃
Flash point:
211 °F
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
soluble in Chloroform, Methanol
form 
Low Melting Solid, Powder or Chunks
color 
White to yellow
Sensitive 
Moisture Sensitive
BRN 
522032
InChI
InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChIKey
AHFPRSSHNSGRCU-UHFFFAOYSA-N
SMILES
C1(Cl)=CC=C(N=C=O)C=C1C(F)(F)F
CAS DataBase Reference
327-78-6(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37-36/37/38-42-20/22
Safety Statements 
7-26-27-37/39-36/37/39-45-23
RIDADR 
UN 2206 6.1/PG 3
WGK Germany 
3
Hazard Note 
Harmful/Moisture Sensitive
HazardClass 
6.1
PackingGroup 
III
HS Code 
29291090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H315Causes skin irritation

H317May cause an allergic skin reaction

H318Causes serious eye damage

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
374881
Product name
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Purity
98%
Packaging
5g
Price
$27.55
Updated
2025/07/31
TCI Chemical
Product number
C2778
Product name
4-Chloro-3-(trifluoromethyl)phenyl Isocyanate
Purity
>98.0%(GC)
Packaging
5g
Price
$70
Updated
2025/07/31
TCI Chemical
Product number
C2778
Product name
4-Chloro-3-(trifluoromethyl)phenyl Isocyanate
Purity
>98.0%(GC)
Packaging
25g
Price
$223
Updated
2025/07/31
TRC
Product number
C421940
Product name
4-Chloro-3-(trifluoromethyl)phenyl Isocyanate
Packaging
5g
Price
$65
Updated
2021/12/16
Matrix Scientific
Product number
038714
Product name
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
Packaging
1g
Price
$19
Updated
2021/12/16
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4-Chloro-3-(trifluoromethyl)phenyl isocyanate Chemical Properties,Usage,Production

Chemical Properties

White solid or melt

Uses

4-Chloro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of: N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea [1,3-bis(4-chloro-α,α,α-trifluoro-m-tolyl)urea] trans-1-(4-chloro-3-trifluoromethyl-phenyl)-3-(4-hydroxy-cyclohexyl)-urea

Uses

4-Chloro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of:

  • N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea
  • [1,3-bis(4-chloro-α,α,α-trifluoro-m-tolyl)urea]
  • trans-1-(4-chloro-3-trifluoromethyl-phenyl)-3-(4-hydroxy-cyclohexyl)-urea

General Description

4-Chloro-3-(trifluoromethyl)phenyl isocyanate participates in an efficient methodology for the synthesis of 5-methyl-3-aryl-2-thiooxazolidin-4-ones.

Flammability and Explosibility

Non flammable

4-Chloro-3-(trifluoromethyl)phenyl isocyanate Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Chloro-3-(trifluoromethyl)phenyl isocyanate Suppliers

Carbosynth
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Apollo Scientific Ltd.
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NiCHe Materials Ltd.
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Fluorochem Ltd.
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VWR International
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View Lastest Price from 4-Chloro-3-(trifluoromethyl)phenyl isocyanate manufacturers

Jinan Ruitong Biotech Co., Ltd.
Product
4-Chloro-3-(trifluoromethyl)phenyl isocyanate 327-78-6
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
1
Release date
2025-08-27
Dideu Industries Group Limited
Product
4-Chloro-3-(trifluoromethyl)phenyl isocyanate 327-78-6
Price
US $1.10/g
Min. Order
1g
Purity
99.9%
Supply Ability
100 Tons Min
Release date
2025-04-09
Henan Aochuang Chemical Co.,Ltd.
Product
4-Chloro-3-(trifluoromethyl)phenyl isocyanate 327-78-6
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-29

327-78-6, 4-Chloro-3-(trifluoromethyl)phenyl isocyanateRelated Search:


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