CAS 2991-28-8 2,5-Difluorobenzoic acid (HCID 76339)

이름 및 식별자

우선 이름: 2,5-Difluorobenzoic acid
IUPAC: 2,5-difluorobenzoic acid
영어명: 2,5-Difluorobenzoic acid
분자식: C7H4F2O2
분자량: 158.1

이름 및 동의어

2,5-Difluorobenzoic acid2991-28-8Benzoic acid, 2,5-difluoro-EINECS 221-060-6NSC 190310LBQMIAVIGLLBGW-UHFFFAOYSA-DTXSID30184024RefChem:82845DTXCID40106515221-060-6InChI=1/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)LBQMIAVIGLLBGW-UHFFFAOYSA-N

이름 더 보기

2,5-DifluorobenzoicRARECHEM AL BO 00195-Difluorobenzoic acid2,5-Difluorobenzic acid2,5-Difuorobenzoic acid2,5-Difluorobenzoicacid98%2,5-Difluoro Benzoic Acids2,5-Difluorobenzoic acid 98%

2,5-difluoro-benzoic acidMFCD00002410NSC-190310NSC 190310;NSC190310GF8ZKM9RKSSCHEMBL115334SCHEMBL23931623

데이터베이스 식별자

CAS: 2991-28-8
PubChem CID: 76339
DTXSID: DTXSID30184024
UNII: GF8ZKM9RKS
EC Number: 221-060-6
Nikkaji: J205.283K

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

Physical DescriptionWhite, odorless crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 132 · 132-134 °C (lit.)
끓는 점: 244.7 · 244.7±20.0 °C(Predicted)
밀도: 1.3486 · 1.3486 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 25 mg/mL, · 아세톤: 용해성25mg/mL, 투명하고 희미한 노란색
산도 계수 (pKa): 2.93 · 2.93±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색
수용성: 물에 불용성.
BRN: 973351 · 973351
InChI: InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey: LBQMIAVIGLLBGW-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(F)=CC=C1F
NIST: 2 · 2,5-Difluorobenzoic acid(2991-28-8)
EPA: 2 · Benzoic acid, 2,5-difluoro- (2991-28-8)

화학적 성질

white crystalline powder

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)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2,5-difluoro-: ACTIVE

응용 분야

용도2,5-Difluorobenzoic acid is used in the preparation of hydrazone derivatives, which acts as a potential antibacterial agent.

일반 설명2,5-Difluorobenzoic acid has been quantitated in ground water samples by liquid chromatography-tandem mass spectrometry.

상·하류 제품 정보

상류 원료

하류 제품

4-(디메틸아미노)-α,α-비스[4-(디메틸아미노)페닐]벤젠메탄올 3-플루오로벤조익 산 (2,5-Difluoro-phenyl)-carbaMic acid tert-butyl ester RARECHEM AL BI 0214

공급사100 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]

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

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

화합물 노트

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2,5-Difluorobenzoic acid

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