3-Fluorobenzoic Acid (HCID 9968)

개요

3-fluorobenzoic acid is a fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of a 3-fluorobenzoate.

이름 및 식별자

우선 이름: 3-Fluorobenzoic Acid
IUPAC: 3-fluorobenzoic acid
현지명: 3-플루오로벤조익 산
영어명: 3-Fluorobenzoic acid
분자식: C7H5FO2
분자량: 140.11

이름 및 동의어

3-FLUOROBENZOIC ACID455-38-9m-Fluorobenzoic acidBenzoic acid, 3-fluoro-Benzoic acid, m-fluoro-meta-Fluorobenzoic acidELG54JFF34NSC-10320DTXSID4060020CHEBI:20021NSC-176125RefChem:93949

이름 더 보기

3-플루오로벤조익산3-플루오로벤조산NSC 176125Between acid3-FluorbenzoesureFluorobenzoic aci3-Fluorobenzoi acid3-fluoro-benzoicaciRARECHEM AL BO 0038

DTXCID9040429207-248-0MFCD00002489m-Fluorobenzoic Acid; NSC 10320; NSC 176125;EINECS 207-248-0NSC 103203-Fluoro-Benzoic AcidUNII-ELG54JFF34

데이터베이스 식별자

CAS: 455-38-9
PubChem CID: 9968
DTXSID: DTXSID4060020
ChEMBL: CHEMBL302365
ChEBI: CHEBI:20021
UNII: ELG54JFF34
EC Number: 207-248-0
Nikkaji: J47.806G

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.05

Vapor Pressure0.05 [mmHg]

Physical DescriptionWhite to light yellow powder; [Acros Organics MSDS]

물리화학적 성질

녹는점: 122 · 122-124 °C (lit.)
끓는 점: 226.1 °C · 226.1°C (rough estimate)
밀도: 1.474 · 1.474
저장 조건: Sealed in dry,Room Temperature
용해도: 1.5 g/L · 1.5g/L
물리적 상태: 가루
산도 계수 (pKa): 3.86 · 3.86(at 25℃)
색상: 흰색에서 밝은 노란색
수용성: 물에 매우 잘 녹습니다.
BRN: 1906920 · 1906920
InChI: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey: MXNBDFWNYRNIBH-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC(F)=C1
NIST: 3 · Benzoic acid, 3-fluoro-(455-38-9)
EPA: 3 · Benzoic acid, 3-fluoro- (455-38-9)

화학적 성질

A white to light yellow crystal powder that poses a significantly acidic nature. It is used as an intermediate in organic synthesis and pharmaceutical intermediates.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 38.5% (37 of 96) of reports.

Warning

H315 (61.5%): 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)

Aggregated GHS information provided per 96 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Fluorobenzoic Acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (61.5%)

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29163900
risk_code: 37/38-36/37/38
hazard_code: Xi
safety_code: 22-28-24/25-37/39-26-36
위험 등급: IRRITANT
기존화학 물질: 2015-3-6615
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 3-fluoro-: ACTIVE

응용 분야

용도3-Fluorobenzoic Acid (cas# 455-38-9) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

하류 제품

3-Fluorobenzoylacetonitrile 메틸3-플루오로벤조에이트 3-Fluorobenzaldehyde 1(2H)-이소퀴놀리논,5-플루오로-(9CI)2-Bromo-3-fluorobenzoic acid 5-플루오로-2-니트로벤조산 3-플루오로-4-니트로벤자미드 3-Fluoro-2-methylbenzoic acid Ethyl 5-(3-fluorophenyl)-1,3-oxazole-4-carboxylate

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: 3-fluorobenzoic acid is a fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of a 3-fluorobenzoate.

연결된 노트

불러오는 중…

3-플루오로벤조익 산

기본 정보

개요