Ethyl bromodifluoroacetate

HCID 69585CAS 667-27-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C(F)(F)Br
InChIKey
IRSJDVYTJUCXRV-UHFFFAOYSA-N
분자식
C4H5BrF2O2
평균 분자량
202.98 g/mol
단동위원소 질량
201.94409794

이름 및 식별자

우선 이름
Ethyl bromodifluoroacetate
IUPAC
ethyl 2-bromo-2,2-difluoroacetate
영어명
Ethyl bromodifluoroacetate
분자식
C4H5BrF2O2
분자량
202.98

이름 및 동의어

Ethyl bromodifluoroacetate667-27-6ethyl 2-bromo-2,2-difluoroacetate2QFZ6JJ5YH2-bromo-2,2-difluoroacetic acid ethyl esterEINECS 211-567-0IRSJDVYTJUCXRV-UHFFFAOYSA-DTXSID40216845Acetic acid, 2-bromo-2,2-difluoro-, ethyl esterRefChem:138888DTXCID70139336211-567-0
이름 더 보기
2-broMo-2,2-difluoroacetateEBDAEBFAbromodifLEthyl bromodifluoroaEthylbromdifluoracetatTwoethyl broMidefluorideEthybromodifluoroacetate
InChI=1/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3IRSJDVYTJUCXRV-UHFFFAOYSA-NEthylbromodifluoroacetateBromodifluoroacetic Acid Ethyl Esterethyl difluorobromoacetateAcetic acid, bromodifluoro-, ethyl esterethyl bromo(difluoro)acetateethyl 2-bromo-2,2-difluoro-acetate

데이터베이스 식별자

CAS
667-27-6
PubChem CID
69585
DTXSID
DTXSID40216845
UNII
2QFZ6JJ5YH
EC Number
211-567-0
Nikkaji
J205.964I

물성

구조 계산 물성

XLogP
1.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
9

물리화학적 성질

끓는 점
112 °C/700 · 112 °C/700 mmHg (lit.)
밀도
1.583 g/mL · 1.583 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.387(lit.)
인화점
70 °F · 70 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
대부분의 유기용매에 용해됩니다.

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (96.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 28-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31053

Acetic acid, bromodifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (96.3%)

안전 데이터

wgk
3
tsca
No
ridadr
UN 2924 3/PG 2
HS 번호
29159000
risk_code
10-34-36
hazard_code
C,F,Xi

화학 및 산업

응용 분야 · 2건

개요Ethyl bromodifluoroacetate, a clear to yellow liquid, is an ester of bromodifluoroacetic acid and ethyl alcohol. It is an ester that can be used to introduce the CF2 group when synthesizing chemical compounds. Ethyl bromdifluoroacetate is considered to be a good compound in the generation of compounds and for testing with other organic compounds like lactones, imines, and other amino acids.

용도Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.

상·하류 제품 정보

공급사50 곳

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