2,4-Difluoro-1,1'-biphenyl

HCID 169974CAS 37847-52-2

기본 정보

표준 SMILES: Fc1ccc(-c2ccccc2)c(F)c1
InChIKey: JVHAJKHGPDDEEU-UHFFFAOYSA-N
분자식: C12H8F2
평균 분자량: 190.19 g/mol
단동위원소 질량: 190.0594067

이름 및 식별자

우선 이름: 2,4-Difluoro-1,1'-biphenyl
IUPAC: 2,4-difluoro-1-phenylbenzene
영어명: 2,4-Difluorobiphenyl
분자식: C12H8F2
분자량: 190.19

이름 및 동의어

2,4-Difluorobiphenyl37847-52-22,4-Difluoro-1,1'-biphenyl1,1'-Biphenyl, 2,4-difluoro-EINECS 253-690-2DTXSID70191277RefChem:443515DTXCID80113768253-690-22,4-Difluoro-1,1-biphenyl2,4-difluoro-1-phenylbenzeneMFCD00042515

이름 더 보기

DIFLUOROBIPHENYL2,4-difluorobiphene2,4-Difluorodiphenyl2,4-Difluorobiphenyl>Flurbiprofen Impurity 262,4-DIFLUOROPHENYLBENZENE24-Difluorobiphenyl(DFBP)

2,4-Difluoro-1-phenyl-benzene2,4-Difluoro-1,1'-biphenyl; 2,4-Difluoro-1-phenylbenzene; 2,4-Difluorobiphenyl;Diflunisal Impurity 62',4'-difluorobiphenylRR42FH7YWLSCHEMBL412228SCHEMBL435274SCHEMBL435275

데이터베이스 식별자

CAS: 37847-52-2
PubChem CID: 169974
DTXSID: DTXSID70191277
ChEMBL: CHEMBL121977
UNII: RR42FH7YWL
EC Number: 253-690-2
Nikkaji: J89.183E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 63 °C · 63 °C
끓는 점: 243.7 · 243.7±20.0 °C(Predicted)
밀도: 1.165 · 1.165±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: 1S/C12H8F2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKey: JVHAJKHGPDDEEU-UHFFFAOYSA-N
SMILES: Fc1ccc(c(F)c1)-c2ccccc2
LogP: 2.673 · 2.673

화학적 성질

White Crysstalline

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.8% (2 of 42) of reports.

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30189

Hazard Classes and CategoriesAcute Tox. 4 (92.9%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
HS 번호: 2902900000
risk_code: 36/37/38-50/53-41-37/38-22
hazard_code: Xi,N,Xn
safety_code: 20/21-24/25-61-60-39-26
포장분류: II
위험 등급: 9
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids