4-브로모-2-플로로아니솔

4-Bromo-2-fluoroanisole

HCID 75378CAS 2357-52-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(Br)cc1F
InChIKey: DWNXGZBXFDNKOR-UHFFFAOYSA-N
분자식: C7H6BrFO
평균 분자량: 205.02 g/mol
단동위원소 질량: 203.95860513

이름 및 식별자

우선 이름: 4-Bromo-2-fluoroanisole
IUPAC: 4-bromo-2-fluoro-1-methoxybenzene
현지명: 4-브로모-2-플로로아니솔
영어명: 4-Bromo-2-fluoroanisole
분자식: C7H6BrFO
분자량: 205.02

이름 및 동의어

4-Bromo-2-fluoroanisole2357-52-0DTXSID80178195EINECS 219-096-2NSC 10329RefChem:519695DTXCID10100686219-096-24-Bromo-2-fluoro-1-methoxybenzene2-fluoro-4-bromoanisoleBenzene, 4-bromo-2-fluoro-1-methoxy-1-Bromo-3-fluoro-4-methoxybenzene

이름 더 보기

4-브로모-2-플로로아니솔4-브로모-2-플루오로아니솔4-Br-2-F-anisole4-Bromo-2-fluoroanis4-Cyano-fluoro phenolFluoro-4-bromoanisole2-Fluoro-4-Bromo Anisol4-Bromo-2-fluoroanisole98%4-Bromo-2-fluoroanisole>

MFCD000117104-BROMO-2-FLUORO-1-METHOXY-BENZENE2-Fluor-4-bromanisolo-fluoro-p-bromoanisole4-bromo-2-fluoro-anisoleAnisole, 4-bromo-2-fluoro-SCHEMBL2820594-Bromo-2-fluoroanisole, 97%

데이터베이스 식별자

CAS: 2357-52-0
PubChem CID: 75378
DTXSID: DTXSID80178195
UNII: F7J83Z8NHR
EC Number: 219-096-2
Nikkaji: J213.212E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 16 °C · 16 °C
끓는 점: 84 °C/7 · 84 °C/7 mmHg (lit.)
밀도: 1.59 g/mL · 1.59 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.545(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.59 · 1.590
수용성: 불용성
BRN: 3240714 · 3240714
InChI: InChI=1S/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey: DWNXGZBXFDNKOR-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(Br)C=C1F
NIST: 4 · 4-Bromo-2-fluoroanisole(2357-52-0)

화학적 성질

CLEAR VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도4-Bromo-2-fluoroanisole has been used in the synthesis of:1,4-bis[(3′-fluoro-4′-n alkoxyphenyl)ethynyl]benzenes with n=1-127-fluoro-6-methoxy-1-methyl-2-naphthaldehyde5,7-difluoro-6-methoxy-1-methyl-2-naphthaldehydeliquid crystals with terminal difluoromethoxy group and backbone of phenylbicyclohexane

일반 설명The IR and FT-IR spectra of 4-bromo-2-fluoroanisole have been investigated.