메틸10-클로로-10-옥소데카노에이트

Methyl 10-chloro-10-oxodecanoate

HCID 544219

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14065-32-8
표준 SMILES: COC(=O)CCCCCCCCC(=O)Cl
InChIKey: ZUUUAAZQEMFVSN-UHFFFAOYSA-N
분자식: C11H19ClO3
평균 분자량: 234.72 g/mol
단동위원소 질량: 234.10227215

이름 및 식별자

우선 이름: Methyl 10-chloro-10-oxodecanoate
IUPAC: methyl 10-chloro-10-oxodecanoate
현지명: 메틸10-클로로-10-옥소데카노에이트
영어명: METHYL 10-CHLORO-10-OXODECANOATE
분자식: C11H19ClO3
분자량: 234.72

이름 및 동의어

Methyl 10-chloro-10-oxodecanoate14065-32-8DTXSID00337722RefChem:353415DTXCID80288809627-817-0Methyl sebacoyl chlorideMFCD00192320Decanoic acid, 10-chloro-10-oxo-, methyl ester9-Chloroformylnonanoic acid methyl ester10-chloro-10-oxodecanoic acid methyl ester10-Oxo-10-chlorodecanoic acid methyl ester

이름 더 보기

메틸10-클로로-10-옥소데카노에이트Methyl 10-chloro-10-oxodecanoate 97%Methyl 10-chloro-10-oxodecanoate,98%Sebacic acid mono-methyl ester chloride9-(Chlorocarbonyl)nonanoic acid methyl ester

SCHEMBL9896119-carbomethoxynonanoyl chlorideMONOMETHYLSEBACOYLCHLORIDEmethyl 9-(chlorocarbonyl)nonanoatemethyl 10-chloro-10-oxo-decanoateSBB069737Methyl 10-chloro-10-oxodecanoate #AKOS015950750

데이터베이스 식별자

CAS: 14065-32-8
PubChem CID: 544219
DTXSID: DTXSID00337722
EC Number: 627-817-0
Nikkaji: J120.419J

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 10
무거운 원자 수: 15
형식 전하: 0
복잡도: 192

물리화학적 성질

녹는점: 16.5 · 16.5-17 °C
끓는 점: 159 · 159-160 °C/9 mmHg (lit.)
밀도: 1.052 g/mL · 1.052 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.453(lit.)
인화점: 160 °F · 160 °F
물리적 상태: liquid
InChI: 1S/C11H19ClO3/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3
InChIKey: ZUUUAAZQEMFVSN-UHFFFAOYSA-N
SMILES: COC(=O)CCCCCCCCC(Cl)=O

화학적 성질

clear colorless 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, 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 16-23-26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도Methyl 10-chloro-10-oxodecanoate may be used in the preparation of the following:methyl 10-[2-methoxy-4-(3-trifluoromethyl-3H-diazirin-3-yl)phenyl]-10-oxodecanoatefluorescein-derivatives of Necrostatin-3methyl 10-oxo-10-(Pyren-3-yl)decanoate

일반 설명Methyl 10-chloro-10-oxodecanoate (Methyl sebacoyl chloride, 10-Oxo-10-chlorodecanoic acid methyl ester) is a monomethyl ester of sebacinic acid.