3',5'-Difluoroacetophenone

HCID 518596CAS 123577-99-1

기본 정보

표준 SMILES: CC(=O)c1cc(F)cc(F)c1
InChIKey: OXJLDNSPGPBDCP-UHFFFAOYSA-N
분자식: C8H6F2O
평균 분자량: 156.13 g/mol
단동위원소 질량: 156.03867125

이름 및 식별자

우선 이름: 3',5'-Difluoroacetophenone
IUPAC: 1-(3,5-difluorophenyl)ethanone
영어명: 3',5'-Difluoroacetophenone
분자식: C8H6F2O
분자량: 156.13

이름 및 동의어

3',5'-Difluoroacetophenone123577-99-1DTXSID90333793RefChem:484555DTXCID00284883626-379-81-(3,5-Difluorophenyl)ethanone3,5-Difluoroacetophenone1-(3,5-Difluorophenyl)Ethan-1-OneEthanone, 1-(3,5-difluorophenyl)-MFCD000424891-acetyl-3,5-difluorobenzene

이름 더 보기

CAS:123577-99-13', 5' -difluorophenone3',5'-Difluoroacetophenone>3',5'-Difluoroacetophenone98%3′,5′-Difluoroacetophenone,97%3',5'-Difluoroacetophenone 98%

3,5-di-fluoroacetophenone3,5-difluoro acetophenoneSCHEMBL3191233\',5\'-DifluoroacetophenoneSCHEMBL2093012SCHEMBL170234451-(3,5-difluoro-phenyl)-ethanone3',5'-Difluoroacetophenone, 97%

데이터베이스 식별자

CAS: 123577-99-1
PubChem CID: 518596
DTXSID: DTXSID90333793
EC Number: 626-379-8
Nikkaji: J1.682.862I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 148

물리화학적 성질

녹는점: 34 · 34-38 °C(lit.)
끓는 점: 94 °C · 94 °C
밀도: 1.206 · 1.206±0.06 g/cm3(Predicted)
굴절률: 1.4876 · 1.4876
인화점: 180 °F · 180 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 저융점 고체
색상: 흰색에서 약간 노란색
BRN: 6798740 · 6798740
InChI: InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChIKey: OXJLDNSPGPBDCP-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(F)=CC(F)=C1)C
NIST: 3 · 3,5-Difluoroacetophenone(123577-99-1)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 36/37/38-R36/37/38-36-26
hazard_code: Xi
safety_code: 26-36-S36-S26-36/37/38
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도3′,5′-Difluoroacetophenone (3,5-Difluoroacetophenone) may be used to synthesize:(E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand(±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine(E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione

일반 설명3′,5′-Difluoroacetophenone, also known as 1-(3,5-difluorophenyl)ethanone, is a fluorinated acetophenone.