클로로디프로로아세트산에틸에스테르

Acetic acid, 2-chloro-2,2-difluoro-, ethyl ester

HCID 67843CAS 383-62-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(F)(F)Cl
InChIKey: GVCAWQUJCHZRCB-UHFFFAOYSA-N
분자식: C4H5ClF2O2
평균 분자량: 158.53 g/mol
단동위원소 질량: 157.99461352

이름 및 식별자

우선 이름: Acetic acid, 2-chloro-2,2-difluoro-, ethyl ester
IUPAC: ethyl 2-chloro-2,2-difluoroacetate
현지명: 클로로디프로로아세트산에틸에스테르
영어명: Chlorodifluoroacetic acid ethyl ester
분자식: C4H5ClF2O2
분자량: 158.53

이름 및 동의어

Ethyl chlorodifluoroacetate383-62-0ethyl 2-chloro-2,2-difluoroacetateEthyl chlorodifluoroethanoateAcetic acid, chlorodifluoro-, ethyl esterAcetic acid, 2-chloro-2,2-difluoro-, ethyl esterEINECS 206-850-0NSC 62664DTXSID7059935GVCAWQUJCHZRCB-UHFFFAOYSA-RefChem:552136DTXCID1039472

이름 더 보기

클로로디프로로아세트산에틸에스테르에틸 클로로다이플루오로아세테이트DifluorochlorateEthylchlorodifluoroacetate,98%Ethyl chloroacetatetwo fluorineEthyl chlorodifluoroacetate 98%Ethyl Chlorodifluoroacetate >chlorodifluoro-aceticaciethylester

206-850-0InChI=1/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3Chlorodifluoroacetic Acid Ethyl EsterC4H5ClF2O2ethyl chloro(difluoro)acetateethyl difluorochloroacetateMFCD00013662NSC-62664

데이터베이스 식별자

CAS: 383-62-0
PubChem CID: 67843
DTXSID: DTXSID7059935
UNII: T9UF4Y3QMS
EC Number: 206-850-0
Nikkaji: J213.612K

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 115

물리화학적 성질

끓는 점: 96 · 96-97.5 °C (lit.)
밀도: 1.252 g/mL · 1.252 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.358(lit.)
인화점: 65 °F · 65 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(아껴서), 에틸아세테이트(아껴서)에 용해됨
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.252 · 1.252
BRN: 1761413 · 1761413
InChI: InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey: GVCAWQUJCHZRCB-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Cl)(F)F
EPA: Acetic acid, chlorodifluoro-, ethyl ester (383-62-0)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
HS 번호: 29159000
risk_code: 11-34-20/21/22
hazard_code: F,C,Xi
safety_code: 16-26-27-36/37/39-45
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-chloro-2,2-difluoro-, ethyl ester: ACTIVE

응용 분야

용도Ethyl chlorodifluoroacetate (ECDFA) may be used as a starting reagent in the synthesis of 3-gem-difluoro-2-ethoxy allylic alcohols.

일반 설명Ethyl chlorodifluoroacetate (ECDFA) undergoes Reformatskii reaction with various aldehydes in DMF. It reacts with phenylacetylene to afford ethyl α,αdifluoro-4-phenyl-3-butenoates.