3,5-Difluorobenzoic acid (HCID 101265)

이름 및 식별자

우선 이름: 3,5-Difluorobenzoic acid
IUPAC: 3,5-difluorobenzoic acid
영어명: 3,5-Difluorobenzoic acid
분자식: C7H4F2O2
분자량: 158.1

이름 및 동의어

3,5-Difluorobenzoic acid455-40-3Benzoic acid, 3,5-difluoro-DTXSID80196536NSC 403726RefChem:91513DTXCID20119027610-261-8GONAVIHGXFBTOZ-UHFFFAOYSA-NInChI=1/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11MFCD000103233,5 difluorobenzoic acid

이름 더 보기

3,5-DifluorobenzoicRARECHEM AL BO 0255TIMTEC-BB SBB0066633,5-DifluorobenzoicAcid>3,5-Difluorobenzoicacid98%3,5-Difluorobenzoicacid,97%3,5-Difluorobenzoic acid 98%3, 5 - two fluorine benzoic acid

3,5 difluoro benzoic acidSCHEMBL1577143,5-Difluorobenzoic acid, 97%AB01033PS-8818D2596NSC 403726; 3,?5-?Difluoro-benzoic AcidNSC403726

데이터베이스 식별자

CAS: 455-40-3
PubChem CID: 101265
DTXSID: DTXSID80196536
EC Number: 610-261-8
Nikkaji: J921.390B

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: 151

물리화학적 성질

녹는점: 121 · 121-123 °C (lit.)
끓는 점: 243.2 · 243.2±20.0 °C(Predicted)
밀도: 1.3486 · 1.3486 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올(약간)에 용해됨
산도 계수 (pKa): 3.52 · 3.52±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 연한 노란색
BRN: 1940680 · 1940680
InChI: InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey: GONAVIHGXFBTOZ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(F)=CC(F)=C1
EPA: 3 · Benzoic acid, 3,5-difluoro- (455-40-3)

화학적 성질

off-white needles and chunks

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.

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, 3,5-difluoro-: ACTIVE

응용 분야 · 2건

용도3,5-Difluorobenzoic Acid can be used as reactant/reagent in Rh(III)-catalyzed regioselective heterocyclization of benzoic acids with acrylates to give phthalides with water as the solvent

일반 설명3,5-Difluorobenzoic acid forms dimers that were stabilized by hydrogen bonds between carboxyl groups. The on-line determination of 3,5-difluorobenzoic acid in water was studied using membrane inlet mass spectrometry with in-membrane preconcentration.

상·하류 제품 정보

상류 원료

Silane, (2,6-difluorophenyl)triethyl-Silane, (3-bromo-2,6-difluorophenyl)triethyl-(4-bromo-2,6-difluorophenyl)-triethylsilane 3,5-Difluorobenzaldehyde 모노메틸탄산나트륨염 Benzoic acid, 3,5-difluoro-4-(triethylsilyl)-ETHYL 3,5-DIFLUOROBENZOATE 이산화탄소 3,5-Difluorophenol 1-브로모-3,5-디플로로벤젠 디플르오르벤젠(1,3-)

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]

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]

연결된 노트

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3,5-Difluorobenzoic acid

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