1-(2,5-Difluorophenyl)ethan-1-one

HCID 74794CAS 1979-36-8

기본 정보

표준 SMILES: CC(=O)c1cc(F)ccc1F
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
분자식: C8H6F2O
평균 분자량: 156.13 g/mol
단동위원소 질량: 156.03867125

이름 및 식별자

우선 이름: 1-(2,5-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,5-difluorophenyl)ethanone
영어명: 2',5'-Difluoroacetophenone
분자식: C8H6F2O
분자량: 156.13

이름 및 동의어

1979-36-81-(2,5-Difluorophenyl)ethanone1-(2,5-Difluorophenyl)ethan-1-oneEINECS 217-837-4HLAFIZUVVWJAKL-UHFFFAOYSA-DTXSID30173498RefChem:420576DTXCID3095989217-837-4InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H32',5'-Difluoroacetophenone2,5-Difluoroacetophenone

이름 더 보기

TIMTEC-BB SBB0065732',5'-Difluoroacetophenone>2',5'-Difluoroacetophenone98%2',5'-Difluoroacetophenone 98%Methyl(2,5-difluorophenyl) ketone

Ethanone, 1-(2,5-difluorophenyl)-MFCD000098981-acetyl-2,5-difluorobenzene1-(2,5-Difluorophenyl)ethanone #CS-W010921PS-8846D26071-(2,5-Difluorophenyl)ethanone; 1-(2,5-Difluorophenyl)ethanone; 2,5-Difluorophenyl Methyl Ketone

데이터베이스 식별자

CAS: 1979-36-8
PubChem CID: 74794
DTXSID: DTXSID30173498
EC Number: 217-837-4
Nikkaji: J199.796C

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: 158

물리화학적 성질

끓는 점: 78 · 78-80°C 12mm
밀도: 1.233 g/mL · 1.233 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4882(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 맑은 노란색
Specific Gravity: 1.233 · 1.233
BRN: 2963573 · 2963573
InChI: 1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1F
NIST: 2 · 2',5'-Difluoroacetophenone(1979-36-8)

화학적 성질

clear colorless to yellow liquid

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 47 reports by companies from 6 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
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2',5'-Difluoroacetophenone is used in the synthesis of pyrazole compounds as inhibitors of dipeptidyl peptidases. These compounds have been shown to produce anti-hyperglycemic effects.