2,5-Dimethoxyaniline

HCID 178733031CAS 102526-87-4
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Basic information

Standard SMILES
COc1ccc(OC)c(N)c1
InChIKey
NAZDVUBIEPVUKE-UHFFFAOYSA-N
Molecular formula
C8H11NO2
Average molar mass
153.18 g/mol

Names & identifiers

Preferred name
2,5-Dimethoxyaniline
IUPAC
2,5-dimethoxyaniline
English name
Benzenamine, 2,5-dimethoxy-, radical ion(1+) (9CI)
Molecular formula
C8H11NO2
Molecular weight
153.18

Names & synonyms

2,5-DIMETHOXYANILINE102-56-7Benzenamine, 2,5-dimethoxy-Aminohydroquinone dimethyl ether1-Amino-2,5-dimethoxybenzeneAniline, 2,5-dimethoxy-2,5-DimethoxybenzenamineMFCD00008368C.I. 35811BRN 0776823V3Z5U3FL10WLN: 1OR BZ DO1
Show more names
Benzenamine, 2,5-dimethoxy-, radical ion(1+) (9CI)
SCHEMBL92071MLS000053359BDBM55250NSC-4138PS-3249SMR0000632862,5-dimethoxyphenylamineD1893

Database identifiers

CAS
102526-87-4
ChEMBL
CHEMBL1616799
UNII
V3Z5U3FL10
EC Number
203-040-9
Nikkaji
J55.364F

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesDensity
LogP1.2
Vapor Pressure0.00828 [mmHg]
Physical DescriptionBrown powder; [Alfa Aesar MSDS]

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (88.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P301+P316, P301+P317, P319, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzenamine, 2,5-dimethoxy-

Status: Active Update: 27-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5256

Benzenamine, 2,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

Causes somnolence, methemoglobinemia, liver and kidney changes, and general anesthesia in acute oral studies of mice; [RTECS] May cause irritation; May induce methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (88.5%)

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationBenzenamine, 2,5-dimethoxy-: ACTIVE

Suppliers1 total

CHEMSTEP[email protected]

Related reactions

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