4-브로모-2-(클로로메틸)피리딘

4-Bromo-2-(chloromethyl)pyridine

HCID 53302022

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1001463-32-6
표준 SMILES: ClCc1cc(Br)ccn1
InChIKey: JJTOQZAHQZOCKN-UHFFFAOYSA-N
분자식: C6H5BrClN
평균 분자량: 206.47 g/mol
단동위원소 질량: 204.92939

이름 및 식별자

우선 이름: 4-Bromo-2-(chloromethyl)pyridine
IUPAC: 4-bromo-2-(chloromethyl)pyridine
현지명: 4-브로모-2-(클로로메틸)피리딘
영어명: 4-bromo-2-(chloromethyl)pyridine
분자식: C6H5BrClN
분자량: 206.47

이름 및 동의어

4-BROMO-2-(CHLOROMETHYL)PYRIDINE1001463-32-6DTXSID70693281RefChem:290638DTXCID10644030972-091-3Pyridine, 4-bromo-2-(chloromethyl)-4-bromo-2-chloromethylpyridineSCHEMBL31967614-bromo-2-chloromethyl-pyridineSCHEMBL29439047JJTOQZAHQZOCKN-UHFFFAOYSA-N

이름 더 보기

4-브로모-2-(클로로메틸)피리딘(3-Bromo-2-pyridinyl)methanol

BQB46332MFCD13189213AB67964DB-058311CS-0089001D74784F610900

데이터베이스 식별자

CAS: 1001463-32-6
PubChem CID: 53302022
DTXSID: DTXSID70693281
EC Number: 972-091-3

물성

구조 계산 물성

XLogP: 2
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 89

물리화학적 성질

InChI: InChI=1S/C6H5BrClN/c7-5-1-2-9-6(3-5)4-8/h1-3H,4H2
InChIKey: JJTOQZAHQZOCKN-UHFFFAOYSA-N
SMILES: C1(CCl)=NC=CC(Br)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)

안전 데이터

위험 등급: IRRITANT

화학 및 산업

공급사18 곳

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