에틸 트리클로로아세테이트

Ethyl trichloroacetate

HCID 10588CAS 515-84-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C(Cl)(Cl)Cl
InChIKey
SJMLNDPIJZBEKY-UHFFFAOYSA-N
분자식
C4H5Cl3O2
평균 분자량
191.44 g/mol
단동위원소 질량
189.93551244

이름 및 식별자

우선 이름
Ethyl trichloroacetate
IUPAC
ethyl 2,2,2-trichloroacetate
현지명
에틸 트리클로로아세테이트
영어명
Ethyl trichloroacetate
분자식
C4H5Cl3O2
분자량
191.44

이름 및 동의어

ETHYL TRICHLOROACETATE515-84-4BR8FKN5Z55NSC-8829DTXSID9060158Acetic acid, 2,2,2-trichloro-, ethyl esterRefChem:139064DTXCID9041029208-212-7ethyl 2,2,2-trichloroacetateAcetic acid, trichloro-, ethyl esterMFCD00000795
이름 더 보기
에틸트리클로로아세테이트ethyl trichloTrichloroacetaRARECHEM AL BI 1451EthyltrichloracetatethyltrichloracetateBiapenem Impurity 45Ethyl trichloroacetatTadalafil Impurity 69
Acetic acid, ester with trichloroethanolTadalafil Impurity 592,2,2-trichloroacetic acid ethyl esterethyl-2,2,2-trichloroacetateSB40694AS-53570SY049287Q27274835

데이터베이스 식별자

CAS
515-84-4
PubChem CID
10588
DTXSID
DTXSID9060158
UNII
BR8FKN5Z55
EC Number
208-212-7
Nikkaji
J133.546D

물성

구조 계산 물성

XLogP
2.4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point
LogP2.39

물리화학적 성질

녹는점
237 °C · 237 °C
끓는 점
168 °C · 168 °C (lit.)
밀도
1.378 g/mL · 1.378 g/mL at 25 °C (lit.)
증기압
2.34 hPa · 2.34hPa at 25℃
굴절률
20 · n20/D 1.453(lit.)
인화점
149 °F · 149 °F

화학적 성질

Colorless liquid with a menthol-like odor. It is miscible with ethanol, ether and benzene, but insoluble in water.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/9982

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
2810
HS 번호
29154000
risk_code
22-36/37/38
hazard_code
Xn,Xi

화학 및 산업

용도 및 제조

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

응용 분야

용도Ethyl trichloroacetate was used in the synthesis of dichlorocarbon precursor, phenyl(trichloromethyl)methyl.

일반 설명Ethyl trichloroacetate undergoes atom-transfer radical addition reaction with styrene catalyzed by the Ru-pentamethylcyclopentadienyl complexes.

제조 방법 · 1건

Ethyl trichloroacetate is synthesized from trichloroacetic acid and ethyl alcohol by the esterification reaction. synthesis steps: Trichloroacetic acid(TCA), anhydrous ethyl alcohol and sulfuric acid are heated together and refluxed for 6 h. After cooling, the ester layer is separated by pouring into water, neutralized with 5-10% sodium carbonate solution, washed with water and dried overnight with anhydrous calcium chloride. After filtration, distillation was carried out to obtain the finished product. Yield 75%.

상·하류 제품 정보

공급사50 곳

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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