기본 정보
- 표준 SMILES
Fc1ccc(CBr)cc1- InChIKey
NVNPLEPBDPJYRZ-UHFFFAOYSA-N- 분자식
- C7H6BrF
- 평균 분자량
- 189.02 g/mol
- 단동위원소 질량
- 187.96369051
이름 및 식별자
- 우선 이름
- 4-Fluorobenzyl bromide
- IUPAC
- 1-(bromomethyl)-4-fluorobenzene
- 영어명
- 4-Fluorobenzyl bromide
- 분자식
- C7H6BrF
- 분자량
- 189.02
이름 및 동의어
4-Fluorobenzyl bromideBenzene, 1-(bromomethyl)-4-fluoro-alpha-Bromo-4-fluorotoluenealpha-Bromo-p-fluorotolueneGKL3GW5GWHToluene, .alpha.-bromo-p-fluoro-.alpha.-Bromo-4-fluorotolueneDTXSID8060032RefChem:99007Toluene, alpha-bromo-p-fluoro-DTXCID1040453NVNPLEPBDPJYRZ-UHFFFAOYSA-N
이름 더 보기
Of fluoride broMide4-Fluorobenzyl bromiα-Bromo-4-fluorotoluene1-bromo-3-fluorotolueneà-bromo-4-fluorotoluene4-FLUOROBBENZYL BROMIDEA-BROMO-4-FLUOROTOLUENE
459-46-11-(Bromomethyl)-4-fluorobenzenep-Fluorobenzyl bromide4-fluorobenzylbromide1-(bromomethyl)-4-fluoro-benzeneMFCD00000359PARA-FLUOROBENZYL BROMIDE4-(bromomethyl)-1-fluorobenzene
데이터베이스 식별자
- CAS
459-46-1- PubChem CID
- 68021
- DTXSID
DTXSID8060032- UNII
- GKL3GW5GWH
- EC Number
- 207-291-5
- Nikkaji
- J196.175F
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 77
물리화학적 성질
- 끓는 점
- 85 °C15 · 85 °C15 mm Hg(lit.)
- 밀도
- 1.517 g/mL · 1.517 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.547(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 액체
- Specific Gravity
- 1.517 · 1.517
- 색상
- 무색~황색으로 투명함
- BRN
- 636507 · 636507
- InChI
- 1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
- InChIKey
- NVNPLEPBDPJYRZ-UHFFFAOYSA-N
- SMILES
- Fc1ccc(CBr)cc1
- NIST
- -4 · «alpha»-Bromo-4-fluorotoluene(459-46-1)
- EPA
- 4 · 4-Fluorobenzyl bromide (459-46-1)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzene, 1-(bromomethyl)-4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29039990
- risk_code
- 34-36
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive/Lachrymatory
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1-(bromomethyl)-4-fluoro-: INACTIVE
응용 분야
용도4-Fluorobenzyl Bromide is a substituted benzyl bromide reagent used in the preparation of wide range of biologically active compounds such as bronchodialators, neurochemicals and antibacterials.
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