Ethyl 4-chloroacetoacetate (HCID 69484)

이름 및 식별자

우선 이름: Ethyl 4-chloroacetoacetate
IUPAC: ethyl 4-chloro-3-oxobutanoate
현지명: 4-클로로아세트 초산에틸
영어명: Ethyl 4-chloroacetoacetate
분자식: C6H9ClO3
분자량: 164.59

이름 및 동의어

Ethyl 4-chloroacetoacetate638-07-3Ethyl 4-chloro-3-oxobutanoateButanoic acid, 4-chloro-3-oxo-, ethyl esterEthyl gamma-chloroacetoacetateDTXSID4044454Acetoacetic acid, 4-chloro-, ethyl ester5AE82250CMDTXCID2024454COBE cpdECA cpdRefChem:595395

이름 더 보기

4-클로로아세트초산에틸에틸4-클로로아세토아세트산에틸4-클로로아세토아세트산(ETHYL4-CHLOROACETOACETATE)에틸 4-클로로아세토아세테이트oroacetoacetateAKOS BBS-00004336Ethyl 4-chloroacetoa4-Chloro-acetoaceticAmlodipine Impurity 66Oxiracetam Impurity 15

211-317-04-Chloroacetoacetic acid ethyl esterMFCD00000939Ethyl (Chloroacetyl)acetateEthyl 4-Chloro-3-oxobutyrate4-chloro-3-oxobutanoic acid ethyl esterAmlodipine Impurity Rethyl 4-chloro-3-oxo-butanoate

데이터베이스 식별자

CAS: 638-07-3
PubChem CID: 69484
DTXSID: DTXSID4044454
ChEMBL: CHEMBL3187729
UNII: 5AE82250CM
EC Number: 211-317-0
Nikkaji: J24.754E

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: -8 °C · -8 °C
끓는 점: 115 °C/14 · 115 °C/14 mmHg (lit.)
밀도: 1.218 g/mL · 1.218 g/mL at 25 °C (lit.)
증기압: 7 hPa · 7hPa at 20℃
굴절률: 20 · n20/D 1.452(lit.)
인화점: 206 °F · 206 °F
저장 조건: 2 · 2-8°C
용해도: 47 g/L · 47.0g/L
물리적 상태: 액체
산도 계수 (pKa): 9.56 · 9.56±0.46(Predicted)
색상: 무색~담황색 투명
수소이온지수(pH): 2.9 · 2.9 (10g/l, H2O, 20℃)
폭발한계: 1.8 % · 1.8%(V)
수용성: 47.5 g/L · 47.5g/L(20℃)
BRN: 1761275 · 1761275
InChI: 1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)CCl
LogP: 0.68 at · 0.68 at 25℃
NIST: 4 · Butanoic acid, 4-chloro-3-oxo-, ethyl ester(638-07-3)
EPA: 4 · Ethyl 4-chloroacetoacetate (638-07-3)

화학적 성질

Ethyl 4-chloroacetoacetate is colorless to pale reddish-yellow clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Butanoic acid, 4-chloro-3-oxo-, ethyl ester

Status: Active Update: 24-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21272

Ethyl 4-chloroacetoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AK5110000
ridadr: UN 2922 8/PG 2
HS 번호: 29183000
risk_code: 25-34-51/53-24/25-36
hazard_code: T,N,C
safety_code: 26-36-45-61-36/37/39-27
포장분류: II
위험 등급: 8
F 고인화성물질: 8-10-19-21
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 4-chloro-3-oxo-, ethyl ester: ACTIVE

응용 분야

개요Ethyl 4-chloroacetoacetate is a chemical compound, which for the ethyl esters of acetoacetic acid belongs. It is a starting material in various syntheses.

용도Ethyl 4-chloroacetoacetate is used as a precursor in the preparation of phosphorous ylides. It finds application in regular film coating, pharmaceutical coating and formulation.

상·하류 제품 정보

상류 원료

아세틸 케텐 에틸알코올 염소(기체)메탄 아세트초산에틸 다이아이소프로필아민 노르말헥산 테트라하이드로푸란 Methyl chlorosulfonate 부틸리튬

하류 제품

4-CHLOROMETHYL-7-METHOXY-CHROMEN-2-ONE 에틸2-(클로로메틸)-4-메틸퀴놀린-3-카르복실산염염산염 ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE 4-CHLOROMETHYL-6-METHYL-CHROMEN-2-ONE 디에틸숙시노숙시네이트 2-(6-METHOXY-1-BENZOFURAN-3-YL)아세트산 4-티아졸아세트산,에틸에스테르 6-(Chloromethyl)uracil (2-PHENYL-THIAZOL-4-YL)-아세틱산 에틸(R)-(-)-4-시아노-3-하이드록시부티에이트 Ethyl 4-(benzyloxy)-3-oxobutanoate

공급사50 곳

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

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4-클로로아세트 초산에틸

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