CAS 83397-45-9 Ethyl 2-methyl-2-(4-nitrophenyl)propanoate (HCID 15544079)

기본 정보

CAS: 83397-45-9
표준 SMILES: CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1
InChIKey: SEQTUSZKRDHNDC-UHFFFAOYSA-N
분자식: C12H15NO4
평균 분자량: 237.25 g/mol

이름 및 식별자

우선 이름: Ethyl 2-methyl-2-(4-nitrophenyl)propanoate
IUPAC: ethyl 2-methyl-2-(4-nitrophenyl)propanoate

이름 및 동의어

ethyl 2-methyl-2-(4-nitrophenyl)propanoate83397-45-9ethyl 2-methyl-2-(4-nitrophenyl)propionateMFCD20130712ethyl2-methyl-2-(4-nitrophenyl)propanoateSCHEMBL395369SEQTUSZKRDHNDC-UHFFFAOYSA-NIDA397454-tert-butyl-2-chloro-5-nitrophenolAKOS033190949AB15295DB-307954

이름 더 보기

ethyl (4-nitrophenyl)-2,2-dimethylacetateethyl 2-(4-nitrophenyl)-2-methylpropanoateCS-0242524EN300-2508452-Methyl-2-(4-nitro-phenyl)-propionic acid ethyl esterZ1248858422Benzeneacetic acid, alpha,alpha-dimethyl-4-nitro-, ethyl ester

데이터베이스 식별자

CAS: 83397-45-9
PubChem CID: 15544079
EC Number: 113-258-5
Nikkaji: J1.702.469H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 72.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 287

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.