2-Fluoro-4-nitrobenzoic acid

HCID 302679CAS 403-24-7

기본 정보

표준 SMILES: O=C(O)c1ccc([N+](=O)[O-])cc1F
InChIKey: MMWFMFZFCKADEL-UHFFFAOYSA-N
분자식: C7H4FNO4
평균 분자량: 185.11 g/mol
단동위원소 질량: 185.01243583

이름 및 식별자

우선 이름: 2-Fluoro-4-nitrobenzoic acid
IUPAC: 2-fluoro-4-nitrobenzoic acid
영어명: 2-Fluoro-4-nitrobenzoic acid
분자식: C7H4FNO4
분자량: 185.11

이름 및 동의어

2-Fluoro-4-nitrobenzoic acid403-24-7DTXSID40307207RefChem:87086DTXCID70258334609-823-52-fluoro-4-nitro-benzoic acid2-fluoro-4-nitrobenzenecarboxylic acid2-fluoro-4-nitrobenzoicacidMFCD00275565BENZOIC ACID, 2-FLUORO-4-NITRO-Enzalutamide Impurity 24

이름 더 보기

NSC 190361BUTTPARK 32\01-74SALOR-INT L446572-1EAEnzalutamide Impurity 252-Fluoro-4-nitrobenzoicaci2-Fluor-4-nitrobenzoic acid2-Fluoro-4-nitrobenzotc acid2-chloro-4-nitrobenzoice acid4-Carboxy-3-fluoronitrobenzene

NSC190361DMK4PY8PNU2-fluoro4-nitrobenzoic acidSCHEMBL779252-Fluor-4-nitro-benzoesaure4-Nitro-2-fluorobenzoic acid2 -fluoro-4-nitrobenzoic acidCHEMBL4541220

데이터베이스 식별자

CAS: 403-24-7
PubChem CID: 302679
DTXSID: DTXSID40307207
ChEMBL: CHEMBL4541220
UNII: DMK4PY8PNU
EC Number: 609-823-5
Nikkaji: J1.551.043I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 170 °C · 170 °C
끓는 점: 352.5 · 352.5±27.0 °C(Predicted)
밀도: 1.568 · 1.568±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.37 · 2.37±0.13(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 2582091 · 2582091
InChI: InChI=1S/C7H4FNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey: MMWFMFZFCKADEL-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C([N+]([O-])=O)C=C1F

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (85.7%): 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)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.