CAS 696-02-6 4-Chloro-1,2-difluorobenzene (HCID 136519)

기본 정보

CAS: 696-02-6
표준 SMILES: Fc1ccc(Cl)cc1F
InChIKey: OPQMRQYYRSTBME-UHFFFAOYSA-N
분자식: C6H3ClF2
평균 분자량: 148.54 g/mol
단동위원소 질량: 147.9891341

이름 및 식별자

우선 이름: 4-Chloro-1,2-difluorobenzene
IUPAC: 4-chloro-1,2-difluorobenzene
영어명: 1-Chloro-3,4-difluorobenzene
분자식: C6H3ClF2
분자량: 148.54

이름 및 동의어

4-Chloro-1,2-difluorobenzene696-02-6OPQMRQYYRSTBME-UHFFFAOYSA-RefChem:520696614-988-1InChI=1/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H1-Chloro-3,4-difluorobenzene3,4-Difluorochlorobenzene4-chloro-1,2-difluoro-benzeneMFCD00042572benzene, 4-chloro-1,2-difluoroBenzene, 4-chloro-1,2-difluoro-

이름 더 보기

oro-3,4-difL4-Bromo-2-Benzonitri3,4-Diflurochlorobenzene1-Choro-3,4-difluorobenzene3,4-difluoro-dichlorobenzene3,4-Difluorochlorobenzene 98%

Benzene,4-chloro-1,2-difluoro-NSC10255SCHEMBL261271SCHEMBL530450SCHEMBL977380SCHEMBL9788803,4-difluoro-1-chlorobenzeneSCHEMBL29443091

데이터베이스 식별자

CAS: 696-02-6
PubChem CID: 136519
DTXSID: DTXSID70219864
EC Number: 614-988-1
Nikkaji: J243.007J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97

물리화학적 성질

끓는 점: 126 °C · 126 °C (lit.)
밀도: 1.33 g/mL · 1.33 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.475(lit.)
인화점: 96 °F · 96 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 2081081 · 2081081
InChI: InChI=1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey: OPQMRQYYRSTBME-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(Cl)C=C1F
NIST: 1 · 1-Chloro-3,4-difluorobenzene(696-02-6)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.