2,5-Dimethoxyaniline

HCID 178733031CAS 102526-87-4

基本情報

標準SMILES: COc1ccc(OC)c(N)c1
InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N
分子式: C8H11NO2
平均分子量: 153.18 g/mol

名称と識別子

優先名称: 2,5-Dimethoxyaniline
IUPAC: 2,5-dimethoxyaniline
英語名: Benzenamine, 2,5-dimethoxy-, radical ion(1+) (9CI)
分子式: C8H11NO2
分子量: 153.18

名称と別名

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

名称をさらに表示

Benzenamine, 2,5-dimethoxy-, radical ion(1+) (9CI)

SCHEMBL92071MLS000053359BDBM55250NSC-4138PS-3249SMR0000632862,5-dimethoxyphenylamineD1893

データベース識別子

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

物性

構造計算による物性

XLogP: 1.2
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 119

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials PropertiesDensity

LogP1.2

Vapor Pressure0.00828 [mmHg]

Physical DescriptionBrown powder; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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 件

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%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

化学と産業

用途と製造

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]

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

サプライヤー1 社

CHEMSTEP[email protected]