2-(Bromomethyl)-1,4-difluorobenzene

HCID 522830CAS 85117-99-3

기본 정보

표준 SMILES: Fc1ccc(F)c(CBr)c1
InChIKey: ONWGSWNHQZYCFK-UHFFFAOYSA-N
분자식: C7H5BrF2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.95427

이름 및 식별자

우선 이름: 2-(Bromomethyl)-1,4-difluorobenzene
IUPAC: 2-(bromomethyl)-1,4-difluorobenzene
영어명: 2,5-Difluorobenzyl bromide
분자식: C7H5BrF2
분자량: 207.02

이름 및 동의어

2,5-Difluorobenzyl bromide85117-99-32-(Bromomethyl)-1,4-difluorobenzeneBenzene, 2-(bromomethyl)-1,4-difluoro-EINECS 285-651-0ONWGSWNHQZYCFK-UHFFFAOYSA-DTXSID50234237RefChem:459913DTXCID50156728285-651-0InChI=1/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2alpha-Bromo-2,5-difluorotoluene

이름 더 보기

TIMTEC-BB SBB006680α-bromo-2,5-difluorotolueneà-bromo-2,5-difluorotoluene2,5-Difluoro Bromine Benzyl2,5-Difluorobenzylbromide98%2,5-DifluorobenzylBromide>2,5-Difluorobenzyl bromide 98%

2,5-difluorobenzylbromideMFCD000098972-bromomethyl-1,4-difluorobenzene2-(bromomethyl)-1,4-difluoro-benzene2,5-difluoro-benzylbromidea-bromo-2,5-difluorotolueneSCHEMBL119218SCHEMBL29430341

데이터베이스 식별자

CAS: 85117-99-3
PubChem CID: 522830
DTXSID: DTXSID50234237
EC Number: 285-651-0
Nikkaji: J236.280E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 28 °C · 28 °C
밀도: 1.609 g/mL · 1.609 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 60 °F · 60 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.609 · 1.6090
BRN: 7089248 · 7089248
InChI: InChI=1S/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey: ONWGSWNHQZYCFK-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(F)C=C1CBr
NIST: 2 · 2,5-Difluorobenzyl bromide(85117-99-3)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 2924 3/PG 2
HS 번호: 29039990
risk_code: 11-34-22-36
hazard_code: F,C,Xi
safety_code: 26-36/37/39-45-16
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도2,5-Difluorobenzyl bromide has been used in the synthesis of:novel series of 4-aryl, 4-phenylsulfonyl cyclohexananone-derived γ-secretase inhibitors, for the potential treatment of Alzheimer′s diseasesulfonamide, amide and acyclic amine derivatives