CAS 64695-78-9 1,2-Dibromo-4,5-difluorobenzene (HCID 94949)

기본 정보

CAS: 64695-78-9
표준 SMILES: Fc1cc(Br)c(Br)cc1F
InChIKey: JTEZQWOKRHOKDG-UHFFFAOYSA-N
분자식: C6H2Br2F2
평균 분자량: 271.88 g/mol
단동위원소 질량: 269.8491307

이름 및 식별자

우선 이름: 1,2-Dibromo-4,5-difluorobenzene
IUPAC: 1,2-dibromo-4,5-difluorobenzene
영어명: 1,2-Dibromo-4,5-difluorobenzene
분자식: C6H2Br2F2
분자량: 271.88

이름 및 동의어

1,2-Dibromo-4,5-difluorobenzene64695-78-9Benzene, 1,2-dibromo-4,5-difluoro-1,2-difluoro-4,5-dibromobenzene56N35RZH2FEINECS 265-021-1NSC-10239DTXSID50215026NSC 10239RefChem:411548DTXCID50137517265-021-1

이름 더 보기

1,2-Dibromo-4,5-difl1,2-DibroMo-4,5-2-fluorobenzene4,5-difluoroortho dibromobenzene1,2-Dibromo-4,5-difluorobenzene>Benzene, 1,2-dibromo-4,5-difluoro-1,2-Dibromo-4,5-difluorobenzene98%1,2-Dibromo-4,5-difluorobenzene,99%1,2-Dibromo-4,5-difluorobenzene 98%1,2-Dibromo-4,5-difluorobenzene ISO 9001：2015 REACH

1,2-dibromo-4,5-difluoro-benzeneMFCD00009890NSC10239UNII-56N35RZH2FSCHEMBL733675SCHEMBL29710388AKOS000121511AC-9697

데이터베이스 식별자

CAS: 64695-78-9
PubChem CID: 94949
DTXSID: DTXSID50215026
UNII: 56N35RZH2F
EC Number: 265-021-1
Nikkaji: J208.440F

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 106

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

Physical DescriptionWhite crystalline solid; mp = 33-35 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 33 · 33-35 °C (lit.)
끓는 점: 216.2 · 216.2±35.0 °C(Predicted)
밀도: 2.103 · 2.1030 (rough estimate)
굴절률: 1.5151 · 1.5151 (estimate)
인화점: 112 °F · 112 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
수용성: 불용성
BRN: 1941132 · 1941132
InChI: InChI=1S/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey: JTEZQWOKRHOKDG-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=C(F)C=C1Br
NIST: 1 · 1,2-Dibromo-4,5-difluorobenzene(64695-78-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (83.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 1,2,3,5-Tetrachlorobenzene and 1,2,3,4-Tetrachlorobenzene.

Hazard Classes and CategoriesFlam. Liq. 3 (83.7%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29039990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36/37/39-24/25
포장분류: III
위험 등급: 4.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야

용도1,2-Dibromo-4,5-difluorobenzene has been used in the preparation of:2,2′-dibromo-4,4′,5,5′-tetrafluorobiphenyl2-(2,3-dibromo-5,6-difluorophenyl)propan-2-ol