CAS 627531-47-9 4-Bromo-3-chloro-2-methylaniline (HCID 7171911)

기본 정보

CAS: 627531-47-9
표준 SMILES: Cc1c(N)ccc(Br)c1Cl
InChIKey: IAWSZYHMEPZGKK-UHFFFAOYSA-N
분자식: C7H7BrClN
평균 분자량: 220.49 g/mol
단동위원소 질량: 218.94504

이름 및 식별자

우선 이름: 4-Bromo-3-chloro-2-methylaniline
IUPAC: 4-bromo-3-chloro-2-methylaniline
현지명: 4-브로모-3-클로로-2-메틸아닐린
영어명: 4-Bromo-3-chloro-2-methylaniline
분자식: C7H7BrClN
분자량: 220.49

이름 및 동의어

4-bromo-3-chloro-2-methylaniline627531-47-9DTXSID90428254RefChem:290831DTXCID20379088687-963-6MFCD073699994-bromo-3-chloro-2-methylbenzenamineBenzenamine, 4-bromo-3-chloro-2-methyl-4-bromo-3-chloro-2-methyl-anilineCAB531474-bromo-3-chloro-2-methyl-phenylamine

이름 더 보기

4-브로모-3-클로로-2-메틸아닐린6-Amino-3-bromo-2-chlorotoluene4-Bromo-3-chloro-2-methylaniline96%4-Bromo-3-chloro-2-methylaniline 98%4-amino-2-chloro-3-methylbromobenzene4-BROMO-3-CHLORO-2-METHYLANILINE, 95+%4-Bromo-3-chloro-2-methylaniline 4-Bromo-3-chloro-2-methylaniline

A8674FT-0644807DTXSID9042SCHEMBL767268BBL1001874-bromo-3-chloro-2-methylphenylamineAKOS015834842PS-7854

데이터베이스 식별자

CAS: 627531-47-9
PubChem CID: 7171911
DTXSID: DTXSID90428254
EC Number: 687-963-6

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 55 ℃ · 55℃
끓는 점: 289.5 · 289.5±35.0 °C(Predicted)
밀도: 1.619 · 1.619±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 고체
산도 계수 (pKa): 2.69 · 2.69±0.10(Predicted)
색상: 어두운 갈색
InChI: InChI=1S/C7H7BrClN/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChIKey: IAWSZYHMEPZGKK-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C(Cl)=C1C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.