3-Chloro-4-methoxyaniline

HCID 21441
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Basic information

CAS
5345-54-0
Standard SMILES
COc1ccc(N)cc1Cl
InChIKey
XQVCBOLNTSUFGD-UHFFFAOYSA-N
Molecular formula
C7H8ClNO
Average molar mass
157.6 g/mol
Monoisotopic mass
157.02944156

Overview

3-Chloro-4-methoxyaniline is an aromatic ether and a substituted aniline.

Names & identifiers

Preferred name
3-Chloro-4-methoxyaniline
IUPAC
3-chloro-4-methoxyaniline
English name
3-Chloro-4-methoxyaniline
Molecular formula
C7H8ClNO
Molecular weight
157.6

Names & synonyms

3-CHLORO-4-METHOXYANILINE5345-54-02-Chloro-4-aminoanisolep-Anisidine, 3-chloro-2-Chloro-4-anisidine3-Chloro-4-methoxybenzenamineQKF2V8L8PCO-chloro-p-anisidineNSC-1706DTXSID00201616RefChem:934353-Cl-4-MetAN
Show more names
AKOS BBS-00003552oro-4-methoxyaniL3-chloro-p-anisidinTIMTEC-BB SBB0040013-Chloro-4-anisidine4-amino-2-chloranisolAvanafil Impurity 110o-Chloro-ρ-aminoanisole
DTXCID30124107226-298-43-Chloro-p-anisidineBenzenamine, 3-chloro-4-methoxy-3-ChloroanisidineOCPAOrthochloroparanisidineMFCD00007771

Database identifiers

CAS
5345-54-0
PubChem CID
21441
DTXSID
DTXSID00201616
ChEBI
CHEBI:194651
UNII
QKF2V8L8PC
EC Number
226-298-4
Nikkaji
J7.974J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP1.85

Physicochemical properties

Melting point
50 · 50-55 °C(lit.)
Boiling point
200 °C · 200°C (rough estimate)
Density
1.176 · 1.1760 (rough estimate)
refractive index
1.543 · 1.5430 (estimate)
Flash point
230 °F · >230 °F
form
solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
BZ6260000
ridadr
UN 2233 6.1/PG 3
hs_code
29222900
risk_code
22

Chemistry & industry

Applications

Uses3-Chloro-4-methoxyaniline is aniline metabolite of chlorpropham and has been quantitated by by micellar electrokinetic capillary chromatography with laser-induced fluorescence detection.

General Description3-Chloro-4-methoxyaniline is aniline metabolite of chlorpropham and has been quantitated by by micellar electrokinetic capillary chromatography with laser-induced fluorescence detection.

Upstream & downstream products

Suppliers84 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Additional notes

DefinitionChEBI: 3-Chloro-4-methoxyaniline is an aromatic ether and a substituted aniline.

Related reactions

112 records
New reaction record

Compound notes

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