벤젠아민,2,5-디메톡시-,라디칼이온(1+)(9CI)

2,5-Dimethoxyaniline

HCID 178733031

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102526-87-4
표준 SMILES: COc1ccc(OC)c(N)c1
InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N
분자식: C8H11NO2
평균 분자량: 153.18 g/mol

이름 및 식별자

우선 이름: 2,5-Dimethoxyaniline
IUPAC: 2,5-dimethoxyaniline
현지명: 벤젠아민,2,5-디메톡시-,라디칼이온(1+)(9CI)
영어명: Benzenamine, 2,5-dimethoxy-, radical ion(1+) (9CI)
분자식: C8H11NO2
분자량: 153.18

이름 및 동의어

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

이름 더 보기

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

SCHEMBL92071MLS000053359BDBM55250NSC-4138PS-3249SMR0000632862,5-dimethoxyphenylamineD1893

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials PropertiesDensity

LogP1.2

Vapor Pressure0.00828 [mmHg]

Physical DescriptionBrown powder; [Alfa Aesar MSDS]

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

화학 및 산업

용도 및 제조

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

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

공급사1 곳

CHEMSTEP[email protected]

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