2,4-디클로로-5-메톡시아닐린

2,4-Dichloro-5-methoxyaniline

HCID 1476636CAS 98446-49-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(N)c(Cl)cc1Cl
InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N
분자식: C7H7Cl2NO
평균 분자량: 192.04 g/mol
단동위원소 질량: 190.9904692

이름 및 식별자

우선 이름: 2,4-Dichloro-5-methoxyaniline
IUPAC: 2,4-dichloro-5-methoxyaniline
현지명: 2,4-디클로로-5-메톡시아닐린
영어명: 2,4-Dichloro-5-methoxyaniline
분자식: C7H7Cl2NO
분자량: 192.04

이름 및 동의어

2,4-dichloro-5-methoxyaniline98446-49-22,4-Dichloro-5-methoxybenzenamineDTXSID80363100RefChem:443305DTXCID30314147619-345-95-Amino-2,4-dichloroanisoleMFCD00974410BENZENAMINE, 2,4-DICHLORO-5-METHOXY-YQ2NS3GL2BMLS000707240

이름 더 보기

2,4-디클로로-5-메톡시아닐린5-Amino-2,4-dBosutinib Impurity 12Bosutinib Impurity 254,6-Dichloro-m-anisidineBosutinib Impurity 12 CRS5-AMINO-4,6-DICHLOROANISOLE2,4-Dichloro-5-methhoxyaniline5-Amino-2,4-dichloroanisole >

AKOS005070483CS-W0158314L-348SAC-4783PB44002SMR000334622EN300-7250792,4-dichloro-5-methoxyphenylamine

데이터베이스 식별자

CAS: 98446-49-2
PubChem CID: 1476636
DTXSID: DTXSID80363100
ChEMBL: CHEMBL1385409
UNII: YQ2NS3GL2B
EC Number: 619-345-9
Nikkaji: J373.459E

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 51 °C · 51 °C
끓는 점: 290.1 · 290.1±35.0 °C(Predicted)
밀도: 1.375 · 1.375±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1.59 · 1.59±0.10(Predicted)
색상: 옅은 갈색
InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.