메틸4-포르밀-3-니트로벤조에이트97

Methyl 4-formyl-3-nitrobenzoate

HCID 3457222

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 153813-69-5
표준 SMILES: COC(=O)c1ccc(C=O)c([N+](=O)[O-])c1
InChIKey: WGOOPYYIMZJWMA-UHFFFAOYSA-N
분자식: C9H7NO5
평균 분자량: 209.16 g/mol
단동위원소 질량: 209.03242232

이름 및 식별자

우선 이름: Methyl 4-formyl-3-nitrobenzoate
IUPAC: methyl 4-formyl-3-nitrobenzoate
현지명: 메틸4-포르밀-3-니트로벤조에이트97
영어명: Methyl 4-formyl-3-nitrobenzoate 97
분자식: C9H7NO5
분자량: 209.16

이름 및 동의어

Methyl 4-formyl-3-nitrobenzoate153813-69-5Benzoic acid, 4-formyl-3-nitro-, methyl esterDTXSID40392658RefChem:816439DTXCID90343519811-186-5Methyl 4-formyl-3-nitro-benzoateMFCD04039968methyl 4-formyl-3-nitrobenzoate 97methyl-4-formyl-3-nitrobenzoateCS-M1229

이름 더 보기

메틸4-포르밀-3-니트로벤조에이트97Methyl 4-forMyl-3-nitrobenzoate 97%4-FORMYL-3-NITROMETHYLBENZOATE4-FORMYL-3-NITROBENZOIC ACID METHYL ESTER

4-methoxycarbonyl-2-nitrobenzaldehydeMethyl 4-formyl-3-nitrobenzoate, 97%SY0478644-formyl-3-nitro-benzoic acid methyl esterMethyl 4-Formyl-3-Nitrobenzoate 97methyl4-formyl-3-nitrobenzoateBCP26998methyl4-formyl-3-nit

데이터베이스 식별자

CAS: 153813-69-5
PubChem CID: 3457222
DTXSID: DTXSID40392658
EC Number: 811-186-5
Nikkaji: J2.431.945H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 89.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 62 · 62-66 °C(lit.)
끓는 점: 380 · 380.0±32.0 °C(Predicted)
밀도: 1.386 · 1.386±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14/h2-5H,1H3
InChIKey: WGOOPYYIMZJWMA-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(C=O)C([N+]([O-])=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.