Ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate

HCID 54080096

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53618-29-4
표준 SMILES: CCOC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1
InChIKey: MMMHCLCYSGLACG-UHFFFAOYSA-N
분자식: C12H13NO4
평균 분자량: 235.24 g/mol
단동위원소 질량: 235.0844579

이름 및 식별자

우선 이름: Ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate
IUPAC: ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate
영어명: ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate
분자식: C12H13NO4
분자량: 235.24

이름 및 동의어

65480-44-6DTXSID00708877RefChem:594460DTXCID70659625995-904-353618-29-4Ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoateEthyl 2-Methyl-3-(4-Nitrophenyl)propenoateSCHEMBL3034226MMMHCLCYSGLACG-UHFFFAOYSA-NDCA61829Ethyl 4-nitro-alpha-methylcinnamate

이름 더 보기

2-Propenoic acid, 2-methyl-3-(4-nitrophenyl)-, ethyl ester

ethyl alpha-methyl-4-nitrocinnamate

데이터베이스 식별자

CAS: 53618-29-4、65480-44-6
PubChem CID: 54080096
DTXSID: DTXSID00708877
EC Number: 995-904-3

물성

구조 계산 물성

XLogP: 3
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: 311

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.