1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene

Basic Information

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CAS Number

327-78-6

Molecular Formula

C8H3ClF3NO

Molecular Weight

221.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

34.0 to 38.0 deg-C

Boiling Point

92°C/13mmHg

Refractive Index

1.487

SMILES

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C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl

InChI

InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChIKey

NBJZEUQTGLSUOB-UHFFFAOYSA-N

LogP

3.3261000000000003

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

250

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

1-chloro-4-isocyanato-2-(trifluoromethyl) benzene
A821408
EC 608-783-6
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
4-chloro-3-(trifluoromethyl)isocyanatobenzene
1-Chloro-4-isocyanato-2-trifluorome
SY013445
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
AKOS005063704
4-chloro-3-trifluoromethylphenylisocyanate
FT-0602816
BCP02638
4-chloro-3-(trifluoromethyl)phenyl isocynate
4-Chloro-3-(trifluoromethyl)-phenylisocyanate
6TE36JKP7L
4-choro-3-trifluoromethyl-phenyl isocyanate
CS-M2757
BP-12634
4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 98%
W-200306
BENZENE, 1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL)-
4-chloro-3-(trifluoromethyl)-phenyl isocyanate
3-trifluoromethyl-4-chlorophenyl isocyanate
1-Chloro-4-isocyanato-2-trifluoromethyl-benzene
3-trifluoromethyl-4-chlorophenyl-isocyanate
NPHZAFBVBAUSEN-UHFFFAOYSA-N
1-chloro-4-isocyanato-2-(trifluoromethyl)-benzene
GEO-00821
AS-18998
BB 0260736
MFCD00013874

MDL Number

MFCD00013874

Customs Code

2929109000

FAQ

What is 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene (CAS: 327-78-6)?

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene is an organic compound with the chemical formula C8H5ClF3N2O. It features a benzene ring substituted with a chloro group at position 1, an isocyanato group at position 4, and a trifluoromethyl group at position 2. This compound is known for its reactivity and is commonly used in synthetic chemistry due to its functional groups, which allow for various chemical modifications. Its CAS number is 327-78-6.

What are the main uses of 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene (CAS: 327-78-6)?

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals and specialty polymers. Its unique combination of chlorine, isocyanato, and trifluoromethyl groups makes it valuable in creating compounds with specific biological or chemical properties. CAS number 327-78-6 is associated with this versatile intermediate.

Is 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene (CAS: 327-78-6) safe?

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene is considered hazardous due to its potential toxicity. It should be handled with appropriate protective measures, including gloves, goggles, and a fume hood. Safety standards recommend avoiding inhalation, skin contact, and ingestion. Proper disposal and storage are essential to minimize risks. Always consult safety data sheets (SDS) for detailed handling guidelines.

How should 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene (CAS: 327-78-6) be stored?

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed, inert container to maintain stability and prevent contamination. Due to its reactivity, it should be stored in a location that is inaccessible to unauthorized personnel and protected from moisture and heat. The CAS number 327-78-6 is important for identifying storage requirements in chemical databases.