CAS 148625-35-8 Methyl 3-formyl-4-nitrobenzoate (HCID 10867527)

기본 정보

CAS: 148625-35-8
표준 SMILES: COC(=O)c1ccc([N+](=O)[O-])c(C=O)c1
InChIKey: JHFSCEMUDKRPID-UHFFFAOYSA-N
분자식: C9H7NO5
평균 분자량: 209.16 g/mol
단동위원소 질량: 209.03242232

이름 및 식별자

우선 이름: Methyl 3-formyl-4-nitrobenzoate
IUPAC: methyl 3-formyl-4-nitrobenzoate
현지명: 메틸3-포르밀-4-니트로벤조에이트97
영어명: Methyl 3-formyl-4-nitrobenzoate
분자식: C9H7NO5
분자량: 209.16

이름 및 동의어

Methyl 3-formyl-4-nitrobenzoate148625-35-8DTXSID80446442RefChem:355011DTXCID80397263855-416-2Benzoic acid, 3-formyl-4-nitro-, methyl esterMFCD05664271Methyl 3-formyl-4-nitro-benzoateMethyl3-formyl-4-nitrobenzoate3-Formyl-4-nitrobenzoic acid methyl ester3-formyl-4-nitro-benzoic acid methyl ester

이름 더 보기

메틸3-포르밀-4-니트로벤조에이트973-Formyl-4-nitrobenzoicacid meMethyl 3-forMyl-4-nitrobenzoate 97%METHYL 3-FORMYL-4-NITROBENZOATE 97AL1HYL 3-FORMYL-4-NITROBENZOATE, 97%5-Methoxycarbonyl-2-nitrobenzaldehyde

2-Nitro-5-carbomethoxy benzaldehydeDS-15981METHYL 3-FORMYL-4-NITROBENZOATE 97Benzoic acid,3-formyl-4-nitro-,methyl esterHT7JHF8TC9SCHEMBL537223methyl-3-formyl-4-nitrobenzoateMethyl 4-nitro-3-formylbenzoate

데이터베이스 식별자

CAS: 148625-35-8
PubChem CID: 10867527
DTXSID: DTXSID80446442
UNII: HT7JHF8TC9
EC Number: 855-416-2
Nikkaji: J2.448.534J

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: 72 · 72-76 °C (lit.)
끓는 점: 385.1 · 385.1±37.0 °C(Predicted)
밀도: 1.386 · 1.386
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
InChI: InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-8(10(13)14)7(4-6)5-11/h2-5H,1H3
InChIKey: JHFSCEMUDKRPID-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C([N+]([O-])=O)C(C=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.