1-(2,6-Difluorophenyl)ethan-1-one (HCID 83643)

이름 및 식별자

우선 이름: 1-(2,6-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,6-difluorophenyl)ethanone
영어명: 1-(2,6-Difluorophenyl)ethan-1-one
분자식: C8H6F2O
분자량: 156.13

이름 및 동의어

13670-99-01-(2,6-Difluorophenyl)ethanone1-(2,6-Difluorophenyl)ethan-1-oneEINECS 237-151-9DTXSID10159891RefChem:420669DTXCID3082382237-151-92',6'-Difluoroacetophenone2,6-DifluoroacetophenoneEthanone, 1-(2,6-difluorophenyl)-MFCD00000328

이름 더 보기

TIMTEC-BB SBB0066862',6'-Difluoroacetophenone>2',6'-Difluoroacetophenone98%2',6'-Difluoroacetophenone 98%Benzamide,4-(1,4-dimethylethyl)-

Acetophenone, 2',6'-difluoro-1-acetyl-2,6-difluorobenzene2`,6`-Difluoroacetophenone2',6'-difluoro acetophenoneSCHEMBL167447SCHEMBL20956592',6'-Difluoroacetophenone, 97%1-(2,6-Difluoro-phenyl)-ethanone

데이터베이스 식별자

CAS: 13670-99-0
PubChem CID: 83643
DTXSID: DTXSID10159891
EC Number: 237-151-9
Nikkaji: J149.979C

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: 52 · 52-55°C
끓는 점: 76 · 76-79 °C15 mm Hg(lit.)
밀도: 1.197 g/mL · 1.197 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.48(lit.)
인화점: 170 °F · 170 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.197 · 1.197
색상: 무색투명~미황색
수용성: 물에 약간 용해됩니다.
BRN: 2046068 · 2046068
InChI: InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey: VGIIILXIQLXVLC-UHFFFAOYSA-N
SMILES: C1C(F)=C(C(=O)C)C(F)=CC=1
NIST: 1 · Ethanone, 1-(2,6-difluorophenyl)-(13670-99-0)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 8 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,6-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

일반 설명2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.