에틸 다이 플루오로 아세테이트

Ethyl difluoroacetate

HCID 9961CAS 454-31-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(F)F
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
분자식: C4H6F2O2
평균 분자량: 124.09 g/mol
단동위원소 질량: 124.03358587

이름 및 식별자

우선 이름: Ethyl difluoroacetate
IUPAC: ethyl 2,2-difluoroacetate
현지명: 에틸 다이 플루오로 아세테이트
영어명: Ethyl difluoroacetate
분자식: C4H6F2O2
분자량: 124.09

이름 및 동의어

ETHYL DIFLUOROACETATE454-31-9Acetic acid, difluoro-, ethyl esterAcetic acid, 2,2-difluoro-, ethyl esterEINECS 207-223-4DTXSID0060010EC 207-223-4RefChem:596176DTXCID1040409207-223-4ethyl 2,2-difluoroacetateethyldifluoroacetate

이름 더 보기

에틸다이플루오로아세테이트uroacetateAKOS B020251ethyldifluoracetatART-CHEM-BB B020251EthyldifluorocetateDifluoroacetate(DFAE)

Difluoroacetic Acid Ethyl Esterdifluoro-acetic acid ethyl esterMFCD00013578ETHYL DIFLUORO ACETATEEthyl difluoroaceticethyl difluoroacetic acidethyl difluroacetate2,2-Difluoroacetic acid ethyl ester

데이터베이스 식별자

CAS: 454-31-9
PubChem CID: 9961
DTXSID: DTXSID0060010
UNII: A3R5VZ4KWN
EC Number: 207-223-4
Nikkaji: J79.622K

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 82.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesViscosity

LogP0.87

물리화학적 성질

끓는 점: 99.2 °C · 99.2 °C (lit.)
밀도: 1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
증기압: 30.03 · 30.03-200.2hPa at 20.03-56.98℃
굴절률: 1.3465 · 1.3465-1.3485
인화점: 25 °C · 25 °C
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.242 · 1.242
색상: 무색의
수용성: 물에 약간 용해됨
BRN: 1748597 · 1748597
InChI: 1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(F)F
LogP: 0.87 at · 0.87 at 25℃
NIST: Acetic acid, difluoro-, ethyl ester(454-31-9)
EPA: Acetic acid, difluoro-, ethyl ester (454-31-9)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (71.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 202 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 02-08-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7247

Hazard Classes and CategoriesFlam. Liq. 2 (71.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 1992
HS 번호: 29159000
risk_code: 34-10
hazard_code: C,F,T,Xi
safety_code: 45-36/37/39-26-16-27
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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

응용 분야

용도Ethyl difluoroacetate is used in pharmaceutical intermediates, acrylization oxidation and halogenating reaction of catalyst. Also ethyl difluoroacetate is used in preparing pyrrazolo-pyrimidine derivatives.

일반 설명Ethyl difluoroacetate was degraded to difluoroacetic acid by the strains of Actinobacteria.