4-Chloro-2,5-dimethoxyaniline

HCID 22833
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Basic information

CAS
6358-64-1
Standard SMILES
COc1cc(Cl)c(OC)cc1N
InChIKey
YGUFQYGSBVXPMC-UHFFFAOYSA-N
Molecular formula
C8H10ClNO2
Average molar mass
187.62 g/mol
Monoisotopic mass
187.04000624

Names & identifiers

Preferred name
4-Chloro-2,5-dimethoxyaniline
IUPAC
4-chloro-2,5-dimethoxyaniline
English name
2,5-Dimethoxy-4-chloroaniline
Molecular formula
C8H10ClNO2
Molecular weight
187.62

Names & synonyms

4-Chloro-2,5-dimethoxyaniline6358-64-12,5-Dimethoxy-4-chloroanilineANILINE, 4-CHLORO-2,5-DIMETHOXY-DMCH cpdDTXSID9040718T659IW8P4SNSC-60154DTXCID7020718RefChem:82891228-782-0Benzenamine, 4-chloro-2,5-dimethoxy-
Show more names
C8H10CINO24-Chlor-2,5-dimethoxyanilinTIMTEC-BB SBB0036814-Chloro-2,5-dimethoChloro-2,5-diMethoxyan2,5-DIMETHOXY-4-CHLORANILINE4-chloro-2,5-dimethoxy-anilin4-CHLORO-5-METHOXY-M-ANISIDINE
MFCD00014893BRN 08804454-chloro-2,5-dimethoxy-aniline(4-Chloro-2,5-dimethoxyphenyl)amine4-chloro-2,5-di-methoxyanilineSTL164359AKOS0001215681-Amino-4-chloro-2,5-dimethoxybenzene

Database identifiers

CAS
6358-64-1
PubChem CID
22833
DTXSID
DTXSID9040718
ChEMBL
CHEMBL1901690
UNII
T659IW8P4S
EC Number
228-782-0
Nikkaji
J55.362J

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

Collision Cross Section133.0 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9040718]

Physicochemical properties

Melting point
118 · 118-120 °C(lit.)
Boiling point
310.2 · 310.2±37.0 °C(Predicted)
Density
1.2384 · 1.2384 (rough estimate)
vapor pressure
0.004 Pa · 0.004Pa at 20℃
refractive index
1.579 · 1.5790 (estimate)
Flash point
163 °C · 163°C

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.

Warning

H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 23-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1982
Hazard Classes and CategoriesAcute Tox. 4 (94.4%)

Safety data

wgk
1
tsca
TSCA listed
rtecs
BX1225000
hs_code
2921.42.9000
risk_code
36/37/38-22
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 4-chloro-2,5-dimethoxy-: ACTIVE

Applications

Uses4-Chloro-2,5-dimethoxyaniline was an analyte identified in a screening study of electronic nicotine delivery systems (ENDS), which are regulated tobacco products.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

76 records
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Compound notes

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