Methyl malonyl chloride (HCID 123460)

이름 및 식별자

우선 이름: Methyl malonyl chloride
IUPAC: methyl 3-chloro-3-oxopropanoate
영어명: Methyl malonyl chloride
분자식: C4H5ClO3
분자량: 136.53

이름 및 동의어

Methyl malonyl chloride37517-81-0methyl 3-chloro-3-oxopropanoateMethyl 3-chloro-3-oxopropionateUAT3SX9MTDPropanoic acid, 3-chloro-3-oxo-, methyl esterEINECS 253-540-6AI3-51039DTXSID40190959Propanoic acid, 3-chloro-2-oxo-, methyl esterRefChem:817838DTXCID30113450

이름 더 보기

AURORA KA-3053TwoMethylchlorideMehtyl Malonyl ChlorideMethylMalonylChloride>METHYL CHLOROFORMYLACETATEMethyl malonyl chloride 97%Methyl malonyl chloride,97%Methylemalonyl chloride, 97%Methyl chlorocarbonylacetate

253-540-6MFCD00013657Methyl chloroformylacetateMethyl (Chloroformyl)acetate3-Chloro-3-oxopropionic Acid Methyl Ester(Chloroformyl)acetic Acid Methyl Estermethyl 3-chloro-3-oxo-propanoateM2315

데이터베이스 식별자

CAS: 37517-81-0
PubChem CID: 123460
DTXSID: DTXSID40190959
UNII: UAT3SX9MTD
EC Number: 253-540-6
Nikkaji: J261.191K

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: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 57 · 57-59 °C/12 mmHg (lit.)
밀도: 1.273 g/mL · 1.273 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.432(lit.)
인화점: 176 °F · 176 °F
저장 조건: 2 · 2-8°C
용해도: soluble in Chloroform, Ethyl Acetate
산도 계수 (pKa): 9.33 · 9.33±0.46(Predicted)
물리적 상태: 액체
색상: 무색의
Specific Gravity: 1.275 · 1.275
수용성: 물과 반응합니다.
BRN: 1754078 · 1754078
InChI: 1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
InChIKey: UTBCRHAMJFMIIR-UHFFFAOYSA-N
SMILES: COC(=O)CC(Cl)=O
NIST: Methyl malonyl chloride(37517-81-0)

화학적 성질

Clear light yellow to 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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPropanoic acid, 3-chloro-3-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29171900
risk_code: 34-36/37
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 8-10-19
위험 참고 사항: Corrosive/Lachrymatory/Keep Cold
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Methyl malonyl chloride is used as pharmaceutical intermediate. Used in anti-cancer drugs.

일반 설명Methyl 3-chloro-3-oxopropionate reacts with 4-cyano-1,1′-biphenyl derivatives bearing ω-hydroxyalkyl substituents to yield liquid-crystalline linear malonates and cyanoacetates.