3-Bromo-4-fluorobenzaldehyde

HCID 173604CAS 77771-02-9

기본 정보

표준 SMILES: O=Cc1ccc(F)c(Br)c1
InChIKey: FAHZIKXYYRGSHF-UHFFFAOYSA-N
분자식: C7H4BrFO
평균 분자량: 203.01 g/mol
단동위원소 질량: 201.94295507

이름 및 식별자

우선 이름: 3-Bromo-4-fluorobenzaldehyde
IUPAC: 3-bromo-4-fluorobenzaldehyde
영어명: 3-Bromo-4-fluorobenzaldehyde
분자식: C7H4BrFO
분자량: 203.01

이름 및 동의어

3-Bromo-4-fluorobenzaldehyde77771-02-94-Fluoro-3-bromobenzaldehydeBenzaldehyde, 3-bromo-4-fluoro-DTXSID6044989EINECS 278-764-1DTXCID4024989O61072992ORefChem:498644278-764-1MFCD000421863-Bromo-fluorobenzyldehyde

이름 더 보기

3-Bromo-4-fluorobenzLABOTEST-BB LT011433253-Brom-4-fluorbenzaldehyd3-Bromo-4-fluorobenzaldehyde98%3-Bromo-4-fluorobenzaldehyde,99%3-Bromo-4-fluorobenzaldehyde 98%3-Bromo-4-fluorobenzaldehyde >

5-bromo-4-fluorobezaldehyde3-bromo-4-flouro-benzaldehyde3-bromo-4-fluoro benzaldehydeCS-B1308SY001679CAS-77771-02-9Z1044895263-bromo-4-fluoro-benzaldehyde

데이터베이스 식별자

CAS: 77771-02-9
PubChem CID: 173604
DTXSID: DTXSID6044989
ChEMBL: CHEMBL3183572
UNII: O61072992O
EC Number: 278-764-1
Nikkaji: J319.687I

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 31 · 31-33 °C (lit.)
끓는 점: 138 · 138-139 °C/2.5 mmHg (lit.)
밀도: 1.6698 · 1.6698 (rough estimate)
굴절률: 1.574 · 1.574
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 저융점 고체
색상: 흰색에서 밝은 노란색
수용성: 불용성
BRN: 5806226 · 5806226
InChI: InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKey: FAHZIKXYYRGSHF-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(F)C(Br)=C1
EPA: 3 · Benzaldehyde, 3-bromo-4-fluoro- (77771-02-9)

화학적 성질

white to light yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]

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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.