CAS 142327-44-4 Methyl 2-(3-formylphenyl)acetate (HCID 11819590)

기본 정보

CAS: 142327-44-4
표준 SMILES: COC(=O)Cc1cccc(C=O)c1
InChIKey: FFUBFLSGFOHPKF-UHFFFAOYSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol

이름 및 식별자

우선 이름: Methyl 2-(3-formylphenyl)acetate
IUPAC: methyl 2-(3-formylphenyl)acetate
영어명: Methyl 2-(3-formylphenyl)acetate
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

Methyl 2-(3-formylphenyl)acetate142327-44-4RefChem:813400836-917-5methyl 3-formylphenylacetateMFCD15523582Benzeneacetic acid, 3-formyl-, methyl estermethyl(3-formylphenyl)acetateMethyl (3-formylphenyl)acetateSCHEMBL1124720methyl (3-formylphenyl)-acetateMethyl2-(3-formylphenyl)acetate

이름 더 보기

FFUBFLSGFOHPKF-UHFFFAOYSA-NSFA327443-(Methoxycarbonylmethyl)benzaldehydeAKOS022188473(3-formylphenyl)acetic acid methyl esterAS-48364SY244436(3-formylphenyl)-acetic acid methyl ester

데이터베이스 식별자

CAS: 142327-44-4
PubChem CID: 11819590
EC Number: 836-917-5

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 189

물리화학적 성질

끓는 점: 278.3 · 278.3±23.0 °C(Predicted)
밀도: 1.157 · 1.157±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.