1-브로모-2-클로로-3-니트로벤존

1-Bromo-2-chloro-3-nitrobenzene

HCID 22736053

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3970-37-4
표준 SMILES: O=[N+]([O-])c1cccc(Br)c1Cl
InChIKey: JNIDAGAFFKAPRV-UHFFFAOYSA-N
분자식: C6H3BrClNO2
평균 분자량: 236.45 g/mol
단동위원소 질량: 234.90357

이름 및 식별자

우선 이름: 1-Bromo-2-chloro-3-nitrobenzene
IUPAC: 1-bromo-2-chloro-3-nitrobenzene
현지명: 1-브로모-2-클로로-3-니트로벤존
영어명: 1-Bromo-2-chloro-3-nitrobenzene
분자식: C6H3BrClNO2
분자량: 236.45

이름 및 동의어

1-BROMO-2-CHLORO-3-NITROBENZENE3970-37-4DTXSID50627948RefChem:75062DTXCID70578701814-473-33-Bromo-2-chloronitrobenzene1-bromo-2-chloro-3-nitro-benzeneMFCD08277301Benzene, 1-bromo-2-chloro-3-nitro-SCHEMBL1494470CL8949

이름 더 보기

1-브로모-2-클로로-3-니트로벤존oro-3-nitrobenzene1-BROMO-2-CHLORO-3-NITROBENZENE ISO 9001：2015 REACH

AKOS015834905CS-W008709AM83152GS-40GS-4084SB37018SY035138EN300-102334

데이터베이스 식별자

CAS: 3970-37-4
PubChem CID: 22736053
DTXSID: DTXSID50627948
EC Number: 814-473-3

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 57 · 57-60°C
끓는 점: 290.4 · 290.4±20.0 °C(Predicted)
밀도: 1.827 · 1.827±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey: JNIDAGAFFKAPRV-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC([N+]([O-])=O)=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.