2-Chloro-3,5-Dimethoxyaniline

HCID 22743074CAS 120758-03-4

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Basic information

Standard SMILES: COc1cc(N)c(Cl)c(OC)c1
InChIKey: QAQJMSZWWPFNJB-UHFFFAOYSA-N
Molecular formula: C8H10ClNO2
Average molar mass: 187.62 g/mol

Names & identifiers

Preferred name: 2-Chloro-3,5-Dimethoxyaniline
IUPAC: 2-chloro-3,5-dimethoxyaniline
English name: 2-Chloro-3,5-dimethoxyaniline
Molecular formula: C8H10ClNO2
Molecular weight: 187.62

Names & synonyms

2-Chloro-3,5-dimethoxyaniline120758-03-4RefChem:468597873-525-3MFCD206911422-chloro-3,5-dimethoxybenzenamine2-Chloro-3,5-dimethoxy-phenylamine2-Chloro-35-dimethoxyanilineSCHEMBL19118322-chloro-3,5-dimethoxy-anilineQAQJMSZWWPFNJB-UHFFFAOYSA-NVEA75803

Show more names

2-chloro-3,5-dimethoxy-BenzenamineBenzenamine, 2-chloro-3,5-dimethoxy-

AKOS022189245DS-9172SY115327DB-330033CS-0138701EN300-253136F382192Z1262624154

Database identifiers

CAS: 120758-03-4
PubChem CID: 22743074
EC Number: 873-525-3
Nikkaji: J141.544A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 306.7 · 306.7±37.0 °C(Predicted)
Density: 1.237 · 1.237±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.81 · 1.81±0.10(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.