2-(4-플루오로벤조일)벤조 산

2-(4-Fluorobenzoyl)benzoic acid

HCID 82099CAS 7649-92-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccccc1C(=O)c1ccc(F)cc1
InChIKey: FJAZVXUPZQSZKI-UHFFFAOYSA-N
분자식: C14H9FO3
평균 분자량: 244.22 g/mol
단동위원소 질량: 244.05357237

이름 및 식별자

우선 이름: 2-(4-Fluorobenzoyl)benzoic acid
IUPAC: 2-(4-fluorobenzoyl)benzoic acid
현지명: 2-(4-플루오로벤조일)벤조 산
영어명: 2-(4-Fluorobenzoyl)benzoic acid
분자식: C14H9FO3
분자량: 244.22

이름 및 동의어

2-(4-Fluorobenzoyl)benzoic acid7649-92-5EINECS 231-604-4NSC 111165DTXSID40227294RefChem:84400DTXCID40149785231-604-4MFCD000024732-(4-fluorobenzoyl)-benzoic acidNSC1111652-(4-Fluorophenyl)carbonylbenzoic Acid

이름 더 보기

2-(4-플루오로벤조일)벤조산2-(4-FLUOROBENZOYL)벤조산BUTTPARK 121\15-832-(P-FLUOROBENZOYL)BENZOIC ACIDBenzoic acid, 2-(4-fluorobenzoyl)-2-(4-Fluorobenzoyl)benzoic acid 97%4-Fluorobenzophenone-2'-carboxylic acid[2-fluoro-3-(hydroxymethyl)phenyl]methanolJRH-05404, 2-(4-Fluorobenzoyl)-benzoic acid, 97%

CHEMBL821152-[(4-fluorophenyl)carbonyl]benzoic acidWL3Maybridge1_003112Oprea1_727821SCHEMBL503678orb30306552-(4-Fluorobenzoyl)benzoicacid

데이터베이스 식별자

CAS: 7649-92-5
PubChem CID: 82099
DTXSID: DTXSID40227294
ChEMBL: CHEMBL82115
EC Number: 231-604-4
Nikkaji: J307.493E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 54.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 321

물리화학적 성질

녹는점: 138 · 138-140 °C (lit.)
물리적 상태: solid
InChI: 1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey: FJAZVXUPZQSZKI-UHFFFAOYSA-N
SMILES: OC(=O)c1ccccc1C(=O)c2ccc(F)cc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2918300090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-(4-Fluorobenzoyl)benzoic acid was used to prepare starting material for the synthesis of 9-fluoro-7H-benz(de)anthracene-7-one. It was used as starting reagent for the synthesis of Heparan sulfate glycosaminoglycans (HSGAG)-mimetic compounds.

일반 설명2-(4-Fluorobenzoyl)benzoic acid on nitration with fuming HNO3 yields 2-(4-fluoro-3-nitrobenzoyl)benzoic acid.