클로로(2-)아세토아세트산에틸에스테르

Ethyl 2-chloroacetoacetate

HCID 11858CAS 609-15-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C(Cl)C(C)=O
InChIKey
RDULEYWUGKOCMR-UHFFFAOYSA-N
분자식
C6H9ClO3
평균 분자량
164.59 g/mol
단동위원소 질량
164.02402183

개요

inhibits synapse formation between resolvase & two directly repeated res sites; structure given in first source

이름 및 식별자

우선 이름
Ethyl 2-chloroacetoacetate
IUPAC
ethyl 2-chloro-3-oxobutanoate
현지명
클로로(2-)아세토아세트산에틸에스테르
영어명
Ethyl 2-chloroacetoacetate
분자식
C6H9ClO3
분자량
164.59

이름 및 동의어

Ethyl 2-chloroacetoacetate609-15-4Ethyl alpha-chloroacetoacetateButanoic acid, 2-chloro-3-oxo-, ethyl esterA 21960DTXSID3049330A9GFN94N9ANSC-78426DTXCID8029286A-21960RefChem:138585210-180-4
이름 더 보기
클로로(2-)아세토아세트산에틸에스테르에틸 2-클로로아세토아세테이트2-chloroacetoacetateETHYL CHLOROACETOACETATE2-CHLORACETYLETHYL ACETATE2-CHLORO-3-OXOBUTANOIC ACID2-CL-ACEAKOS BBS-00004302
Ethyl 2-chloro-3-oxobutanoate2-Chloroacetoacetic acid ethyl esterEthyl 2-chloracetoacetateEthyl-2-chloracetoacetate2-Chloro-3-oxobutyric acid ethyl esterEthyl 2-chloro-3-oxobutyrate2-Chloro-3-oxobutanoic acid, ethyl esterAcetoacetic acid, 2-chloro-, ethyl ester

데이터베이스 식별자

CAS
609-15-4
PubChem CID
11858
DTXSID
DTXSID3049330
ChEMBL
CHEMBL3186400
UNII
A9GFN94N9A
EC Number
210-180-4
Nikkaji
J60.802E

물성

구조 계산 물성

XLogP
1.1
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters
Vapor Pressure0.22 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
-80 °C · -80 °C
끓는 점
107 °C/14 · 107 °C/14 mmHg (lit.)
밀도
1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
증기압
49.4 · 49.4-100Pa at 20℃
굴절률
20 · n20/D 1.441(lit.)
인화점
122 °F · 122 °F

화학적 성질

clear bright yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (28.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Butanoic acid, 2-chloro-3-oxo-, ethyl ester

Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13703

Ethyl 2-chloroacetoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; [Sigma-Aldrich MSDS] See Ethyl acetoacetate. See Methyl dichloroacetate.
Hazard Classes and CategoriesFlam. Liq. 3 (28.1%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
HS 번호
29183000
risk_code
10-22-34-52/53-36/37/38-36
hazard_code
C,Xn,F

화학 및 산업

용도 및 제조

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationButanoic acid, 2-chloro-3-oxo-, ethyl ester: ACTIVE

응용 분야

용도Ethyl 2-chloroacetoacetate was used to study reductive dechlorination of β-keto ester ethyl 2-chloroacetoacetate by Saccharomyces cerevisiae.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京精维化工有限公司13270709979 · [email protected]

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