Methyl 4-chloroacetoacetate (HCID 36240)

이름 및 식별자

우선 이름: Methyl 4-chloroacetoacetate
IUPAC: methyl 4-chloro-3-oxobutanoate
현지명: 4-클로로아세트초산메틸
영어명: Methyl 4-chloro-3-oxo-butanoate
분자식: C5H7ClO3
분자량: 150.56

이름 및 동의어

Methyl 4-chloroacetoacetateMethyl 4-chloro-3-oxobutyrateButanoic acid, 4-chloro-3-oxo-, methyl ester4-chloro-3-oxobutanoic acid methyl esterFVC6V863Y2DTXSID0067719Methyl .omega.-chloroacetoacetate.gamma.-Chloroacetoacetic acid, methyl esterRefChem:157604Methyl omega-chloroacetoacetateDTXCID7038579gamma-Chloroacetoacetic acid, methyl ester

이름 더 보기

4-클로로아세트초산메틸메틸 4-클로로아세토아세테이트4-CHLOROACETOACETATEMethyl 4-ChloroacetoaceateAKOS 90320Oxiracetam Impurity 20methyl 4-choroacetoactateMethyl-4-ChloroacetoacetaeMethyl γ-ChloroacetoacetateMethyl ω-ChloroacetoacetateMethyle4-chloroacetoacetate

HFLMYYLFSNEOOT-UHFFFAOYSA-N32807-28-6Methyl 4-chloro-3-oxobutanoatemethyl 4-chloro-3-oxo-butanoate4-Chloroacetoacetic Acid Methyl EsterMFCD00000938methyl-4-chloroacetoacetateACETOACETIC ACID, 4-CHLORO-, METHYL ESTER

데이터베이스 식별자

CAS: 32807-28-6
PubChem CID: 36240
DTXSID: DTXSID0067719
ChEMBL: CHEMBL173804
UNII: FVC6V863Y2
EC Number: 251-230-5
Nikkaji: J24.756A

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 121

물리화학적 성질

녹는점: 14 · 14-16 °C
끓는 점: 85 °C/4 · 85 °C/4 mmHg (lit.)
밀도: 1.305 g/mL · 1.305 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.456(lit.)
인화점: 217 °F · 217 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 9.54 · 9.54±0.46(Predicted)
Specific Gravity: 1.28 · 1.28
색상: 무색의
수용성: 71 g/L · 71g/L(20℃)
BRN: 1759939 · 1759939
안정성: 수분에 민감한
InChI: 1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
InChIKey: HFLMYYLFSNEOOT-UHFFFAOYSA-N
SMILES: COC(=O)CC(=O)CCl
LogP: 1.01 · 1.010 (est)
NIST: 4 · Butanoic acid, 4-chloro-3-oxo-, methyl ester(32807-28-6)
EPA: 4 · Methyl 4-chloroacetoacetate (32807-28-6)

화학적 성질

Methyl 4-chloro-3-oxo-butanoate is clear slightly yellow to yellow-orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

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

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

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AK5115000
ridadr: UN 2810 6.1/PG 2
HS 번호: 29183000
risk_code: 25-34
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: 97-3-219
F 고인화성물질: 19
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 4-chloro-3-oxo-, methyl ester: INACTIVE

응용 분야

용도γ-Chloroacetic acid derivative with acute toxicity used in the preparation of insecticides.

상·하류 제품 정보

하류 제품

(R)-4-클로로-3-하이드록시부티르산메틸에스테르 메틸2-(클로로메틸)-4-메틸퀴놀린-3-카르복실산염염산염 메틸2-아미노-4-티아졸아세테이트 Methyl2-amino-4-bromothiophene-3-carboxylate HCl (R)-(?)-2-옥탄올 메틸4-메톡시아세톡시아세테이트

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

연결된 노트

불러오는 중…

4-클로로아세트초산메틸

기본 정보