Methyl 2-chloro-2-methylpropanoate

HCID 211144CAS 22421-97-2

기본 정보

표준 SMILES: COC(=O)C(C)(C)Cl
InChIKey: GJWBUVKJZQLZNB-UHFFFAOYSA-N
분자식: C5H9ClO2
평균 분자량: 136.58 g/mol
단동위원소 질량: 136.02910721

이름 및 식별자

우선 이름: Methyl 2-chloro-2-methylpropanoate
IUPAC: methyl 2-chloro-2-methylpropanoate

이름 및 동의어

Methyl 2-chloro-2-methylpropanoateMethyl 2-chloroisobutyrateRefChem:814272844-602-922421-97-2Propanoic acid, 2-chloro-2-methyl-, methyl ester2-chloro-2-methyl-propionic acid methyl esterMethyl alpha-chloroisobutyrateTL 39BRN 1746610Propionic acid, 2-chloro-2-methyl-, methyl esterPropanoic acid,2-chloro-2-methyl-, methyl ester

이름 더 보기

4-02-00-00859 (Beilstein Handbook Reference)SCHEMBL677960SCHEMBL7669946DTXSID30176949GJWBUVKJZQLZNB-UHFFFAOYSA-NMethyl2-chloro-2-methylpropanoateMFCD01697507AKOS026742865

데이터베이스 식별자

CAS: 22421-97-2
PubChem CID: 211144
DTXSID: DTXSID30176949
EC Number: 844-602-9
Nikkaji: J578.841B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 98.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.