3-Chloroaniline

CAS 108-42-9

C₆H₆ClN

3-Chloroaniline (CAS 108-42-9) is a chemical compound with molecular formula C₆H₆ClN and molecular weight 127.57 g/mol . GHS signal word: Danger. Hazard classifications: Toxic, Health Hazard, Serious Health Hazard, Hazardous to the Environment.

What is 3-Chloroaniline?

Molecular Formula: C6H6ClN
Molecular Weight: 127.57 g/mol
Melting Point: 13.5 °F (NTP, 1992)
Boiling Point: 446.9 °F at 760 mmHg (NTP, 1992)
Density: 1.216 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubility: less than 1 mg/mL at 64 °F (NTP, 1992)

Description

3-Chloroaniline is a substituted aniline.

Structure Identifiers

SMILES: C1=CC(=CC(=C1)Cl)N
InChI: InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey: PNPCRKVUWYDDST-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass: 127.0189 Da
XLogP: 1.90
TPSA: 26.0 Ų
H-Bond Donors: 1
H-Bond Acceptors: 1
Complexity: 75
Formal Charge: 0

Experimental

Measured physical and chemical properties from experimental literature.

Color / Form: Colorless to light amber, tends to darken during storage
Odor: Characteristic sweet odor
Vapor Pressure: less than 0.1 mmHg at 86 °F ; 1 mmHg at 146.3 °F; 760 mmHg at 443.3 °F (NTP, 1992)
LogP: log Kow = 1.88
Dissociation Constants: pKa = 3.521 at 25 °C (conjugate acid)
Decomposition: When heated to decomposition, it emits toxic fumes of /hydrogen chloride and nitrogen oxides/.
Other: Heat of decomposition was determined as zero.

Safety information

Signal Word

Danger

GHS Pictograms

GHS06

GHS07

GHS08

GHS09

Hazard Statements

H301 Toxic if swallowed
H311 Toxic in contact with skin

Precautionary Statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray
P261 Avoid breathing dust/fume/gas/mist/vapours/spray
P262 Do not get in eyes, on skin, or on clothing
P264 Wash thoroughly after handling
P270 Do not eat, drink or smoke when using this product
P271 Use only outdoors or in a well-ventilated area
P272 Contaminated work clothing should not be allowed out of the workplace
P273 Avoid release to the environment
P280 Wear protective gloves/protective clothing/eye protection/face protection
P284 Wear respiratory protection
P302+P352 IF ON SKIN: Wash with soap and water
P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
P320 Specific treatment is urgent (see supplemental first aid instructions on this label)
P321 Specific treatment (see supplemental first aid instructions on this label)
P330 Rinse mouth
P391 Collect spillage
P403+P233 Store in a well-ventilated place. Keep container tightly closed
P405 Store locked up
P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (95)

CK1168
F038261
PS-5280
108-42-9
BP-21058
NSC17581
Q2497496
ST088221
STR00034
203-581-0
AI3-12126
DB-059756
HSDB 2046
MSK001265
NSC 17581
NSC-17581
SBB040450
STL168886
6GKR52SKIY
CCRIS 3402
NS00001502
WLN: ZR CG
BIDD:GT0269
EN300-18057
CAS-108-42-9
CHEBI:229245
CHEMBL325415
DTXCID004761
EC 203-581-0
MFCD00007765
SCHEMBL20051
SCHEMBL21586
SCHEMBL33289
Tox21_202237
Tox21_303199
AKOS000119145
DTXSID0024761
RefChem:93500
SCHEMBL411556
SCHEMBL543422
3-Cloroaniline
m-Chloraniline
MSK001265-100M
Orange GC Base
SCHEMBL5850433
3-chloroanaline
3-CHLOROANILINE
AG-617/02198029
m-Chloroaniline
MSK001265-1000M

Show 45 more names

NCGC00091547-01
NCGC00091547-02
NCGC00256958-01
NCGC00259786-01
UNII-6GKR52SKIY
3- Chloroaniline
3-Chlooranilinen
3-chloro aniline
3-CHLORO-ANILINE
EINECS 203-581-0
m-Chloro aniline
CHLOROANILINE, M-
Aniline, 3-chloro-
Aniline, m-chloro-
meta-chloroaniline
3-Chlorobenzenamine
3-Chlorophenylamine
Fast Orange GC Base
m-Chlorophenylamine
3-Chloro-phenylamine
3-Chloroaniline, 99%
3-chlorophenyl amine
m-Aminochlorobenzene
m-Chloroaminobenzene
M-CHLOROANILINE [MI]
(3-chlorophenyl)amine
amino 3 chlorobenzene
(3-chlorophenyl)-amine
3-CHLOROANILINE [HSDB]
Benzenamine, 3-chloro-
1-Amino-3-chlorobenzene
3-AMINO-1-CHLOROBENZENE
3-CHLORO-1-AMINOBENZENE
Benzeneamine, 3-chloro-
meta-Aminochlorobenzene
3-Chlooranilinen [Dutch]
3-Cloroaniline [Italian]
Azoic diazo component 2, base
3-Chloroaniline(3-Chlorobenzenamine)
3-Chloroaniline, puriss., >=99.0% (GC)
3-Chloroaniline 100 microg/mL in Methanol
InChI=1/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H
3-Chloroaniline Solution in Methanol, 100ug/mL
3-Chloroaniline Solution in Methanol, 1000ug/mL
3-Chloroaniline, PESTANAL(R), analytical standard

Frequently asked questions

What is the CAS number of 3-Chloroaniline?

The CAS Registry Number for 3-Chloroaniline is 108-42-9.

What is the molecular formula of 3-Chloroaniline?

3-Chloroaniline has the molecular formula C6H6ClN and a molecular weight of 127.57 g/mol.

What is the SMILES notation for 3-Chloroaniline?

The SMILES notation for 3-Chloroaniline is C1=CC(=CC(=C1)Cl)N.

What is the melting point of 3-Chloroaniline?

The melting point of 3-Chloroaniline is 13.5 °F (NTP, 1992).

What is the boiling point of 3-Chloroaniline?

The boiling point of 3-Chloroaniline is 446.9 °F at 760 mmHg (NTP, 1992).

What is the density of 3-Chloroaniline?

The density of 3-Chloroaniline is 1.216 at 68 °F (NTP, 1992) - Denser than water; will sink.

How soluble is 3-Chloroaniline?

Solubility of 3-Chloroaniline: less than 1 mg/mL at 64 °F (NTP, 1992).

Is 3-Chloroaniline hazardous?

3-Chloroaniline carries the following GHS hazard classifications: Toxic, Health Hazard, Serious Health Hazard, Hazardous to the Environment. Signal word: Danger.

What are other names for 3-Chloroaniline?

3-Chloroaniline is also known as (3-chlorophenyl)-amine, (3-chlorophenyl)amine, 1-Amino-3-chlorobenzene, 108-42-9, 203-581-0.

Data sourced from PubChem CID 7932. Last updated Apr 28, 2026.

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