4-Bromo-2-fluorobenzyl bromide

HCID 2733660

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 76283-09-5
표준 SMILES: Fc1cc(Br)ccc1CBr
InChIKey: XMHNLZXYPAULDF-UHFFFAOYSA-N
분자식: C7H5Br2F
평균 분자량: 267.92 g/mol
단동위원소 질량: 265.87420258

이름 및 식별자

우선 이름: 4-Bromo-2-fluorobenzyl bromide
IUPAC: 4-bromo-1-(bromomethyl)-2-fluorobenzene
영어명: 4-Bromo-2-fluorobenzyl bromide
분자식: C7H5Br2F
분자량: 267.92

이름 및 동의어

4-Bromo-2-fluorobenzyl bromide76283-09-54-Bromo-1-(bromomethyl)-2-fluorobenzene2-fluoro-4-bromobenzyl bromideEINECS 278-412-70Z26XYC1JYBenzene, 4-bromo-1-(bromomethyl)-2-fluoro-4-bromo-1-bromomethyl-2-fluorobenzene.ALPHA.,4-DIBROMO-2-FLUOROTOLUENE4-BROMO-2-FLUORO-(BROMOMETHYL)BENZENEalpha,4-Dibromo-2-fluorotolueneRefChem:519703

이름 더 보기

à,4-dibromo-2-fluorotoluene4,α-dibromo-2-fluorotoluene4-Bromo-2-fluoroben bromide4-BroMo-2-fluorobenl broMide2-fluor-4-bromobenzyl bromide4-Bromo-1-Fluorobenzyl Bromide4-Bromo-2-fluorobenzylbromide97%4-Bromo-2-fluorobenzyl bromide 97%

MFCD000554674-Bromo-1-(bromomethyl)-2-fluoro-benzene2-fluoro-4-bromobenzylbromideDTXSID10578224-Bromo-2-fluorobenzylbromide4,alpha-Dibromo-2-fluorotolueneUNII-0Z26XYC1JY2-Fluoro-4-bromo-benzylbromide

데이터베이스 식별자

CAS: 76283-09-5
PubChem CID: 2733660
DTXSID: DTXSID1057822
ChEMBL: CHEMBL3188813
UNII: 0Z26XYC1JY
EC Number: 278-412-7
Nikkaji: J319.301B

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 33 · 33-36 °C (lit.)
끓는 점: 126 °C · 126 °C (19 mmHg)
밀도: 1.9094 · 1.9094 (rough estimate)
굴절률: 1.577 · 1.5770 (estimate)
인화점: 126 °C/9mm · 126°C/9mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 저융점 고체
색상: 흰색에서 황백색까지
BRN: 4307676 · 4307676
InChI: InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey: XMHNLZXYPAULDF-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C(Br)C=C1F

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (85.7%)

안전 데이터

wgk: 2
ridadr: UN 2923 8/PG 3
HS 번호: 29039990
risk_code: 22-34-52/53-20/21/22
hazard_code: C
safety_code: 26-36/37/39-45-61
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials