2-피리딘아민,5-브로모-4-클로로-

2-Amino-5-bromo-4-chloropyridine

HCID 44181812

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 942947-94-6
표준 SMILES: Nc1cc(Cl)c(Br)cn1
InChIKey: DDOFUMWLNSICHU-UHFFFAOYSA-N
분자식: C5H4BrClN2
평균 분자량: 207.45 g/mol
단동위원소 질량: 205.92464

이름 및 식별자

우선 이름: 2-Amino-5-bromo-4-chloropyridine
IUPAC: 5-bromo-4-chloropyridin-2-amine
현지명: 2-피리딘아민,5-브로모-4-클로로-
영어명: 2-Pyridinamine, 5-bromo-4-chloro-
분자식: C5H4BrClN2
분자량: 207.46

이름 및 동의어

2-Amino-5-bromo-4-chloroPyridineRefChem:464517807-141-45-bromo-4-chloropyridin-2-amine942947-94-65-BROMO-4-CHLORO-2-AMINOPYRIDINE2-Amino-4-chloro-5-bromopyridineMFCD124072825-BROMO-4-CHLORO-2-PYRIDINAMINE5-Bromo-4-chloro-pyridin-2-ylamine5-Bromo-4-chloro-2-amino pyridineSCHEMBL211570

이름 더 보기

2-피리딘아민,5-브로모-4-클로로-2-Hydroxy-3-Methoxybenzoic5-Bromo-4-chloro-2-aminop...5-BroMo-4-chloro-2-aMinopyri

DTXSID60657711EN300-1923132-PYRIDINAMINE, 5-BROMO-4-CHLORO-S5NXK6YT42DDOFUMWLNSICHU-UHFFFAOYSA-NBDBM626074(5-Bromo-4-chloropyridin-2-yl)amineAKOS015889463

데이터베이스 식별자

CAS: 942947-94-6
PubChem CID: 44181812
DTXSID: DTXSID60657711
UNII: S5NXK6YT42
EC Number: 807-141-4
Nikkaji: J3.361.456J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

물리화학적 성질

끓는 점: 271.6 · 271.6±35.0 °C(Predicted)
밀도: 1.834 · 1.834±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 3.61 · 3.61±0.24(Predicted)
물리적 상태: 가루
색상: Faint beige
InChI: InChI=1S/C5H4BrClN2/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H2,8,9)
InChIKey: DDOFUMWLNSICHU-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C(Cl)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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 3 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.