Butanoic acid, 4-chloro-4-oxo-, methyl ester (HCID 73888)

이름 및 식별자

우선 이름: Butanoic acid, 4-chloro-4-oxo-, methyl ester
IUPAC: methyl 4-chloro-4-oxobutanoate
영어명: Methyl 4-chloro-4-oxobutanoate
분자식: C5H7ClO3
분자량: 150.56

이름 및 동의어

Methyl 4-chloro-4-oxobutyrateButanoic acid, 4-chloro-4-oxo-, methyl esterEINECS 216-077-0NSC 10757DTXSID7061728RefChem:571563DTXCID7034830216-077-0methyl 4-chloro-4-oxobutanoate1490-25-1Methyl 3-(chloroformyl)propionate3-(Carbomethoxy)propionyl chloride

이름 더 보기

METHYL SUCCINYL CHLORIDEMethyl 4-chloroMethylesuccinyl chlorideMethyl succinyl chloride,97%Methyl 4-chloro-4-oxobutyrate 97%3-(CHLOROFORMYL) METHYL PROPIONATE

METHYL 4-CHLORO-4-OXO-BUTANOATEMFCD000007503-carbomethoxypropionyl chloride3-(Methoxycarbonyl)propanoyl chloride; 3-(Methoxycarbonyl)propionyl chloride; 3-Carbomethoxypropanoyl chloride; 3-Chlorocarbonylpropionic acid methyl estermethoxycarbonylpropionyl chloride3-methoxycarbonylpropionyl chlorideNSC107574-chloro-4-oxobutyric acid methyl ester

데이터베이스 식별자

CAS: 1490-25-1
PubChem CID: 73888
DTXSID: DTXSID7061728
EC Number: 216-077-0
Nikkaji: J36.595E

물성

구조 계산 물성

XLogP: 1
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 174 · 174-176 °C(Solv: N,N-dimethylformamide (68-12-2))
끓는 점: 58 · 58-65 °C3 mm Hg(lit.)
밀도: 1.23 g/mL · 1.230 g/mL at 20 °C
굴절률: 20 · n20/D 1.44(lit.)
인화점: 165 °F · 165 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 액체
색상: 무색~담황색
Specific Gravity: 1.223 · 1.223
BRN: 970397 · 970397
InChI: InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3
InChIKey: SRXOJMOGPYFZKC-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCC(Cl)=O
EPA: 4 · Butanoic acid, 4-chloro-4-oxo-, methyl ester (1490-25-1)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 11-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25941

Butanoic acid, 4-chloro-4-oxo-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29183000
risk_code: 34-37
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10-13-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

용도Methyl 4-chloro-4-oxobutanoate acts as a synthetic precursor that reacts with indoline to yield the corresponding methyl ester derivative, and serves to generate ketene in situ for constructing cyclobutane rings via [2+2] cycloaddition with alkyl vinyl ethers[1-2].