3,5-Difluorophenol (HCID 75928)

이름 및 식별자

우선 이름: 3,5-Difluorophenol
IUPAC: 3,5-difluorophenol
영어명: 3,5-Difluorophenol
분자식: C6H4F2O
분자량: 130.09

이름 및 동의어

3,5-Difluorophenol2713-34-0Phenol, 3,5-difluoro-Phenol,3,5-difluoro-HJSSBIMVTMYKPD-UHFFFAOYSA-DTXSID10181596RefChem:91520DTXCID50104087608-047-4HJSSBIMVTMYKPD-UHFFFAOYSA-NInChI=1/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9HMFCD00002255

이름 더 보기

3,5-DiflourophenolTegoprazan Impurity 73,5-Difluorophenol>3,5-Difluorophenol99%3,5-Difluorophenol 99%3,5-Difluorophenol,98+%3,5-Difluorophenol (ACI)3, 5 - two fluorine phenol

C6H4F2O3,5-difluoro-phenol3,5-difluoro phenol3,5-fluorophenol3,5-difluorphenol3,5difluorophenolphenol derivative, 63,5-Bis(fluoranyl)phenol

데이터베이스 식별자

CAS: 2713-34-0
PubChem CID: 75928
DTXSID: DTXSID10181596
ChEMBL: CHEMBL259068
UNII: JN34ZXS9X7
EC Number: 608-047-4
Nikkaji: J432.241J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

물리화학적 성질

녹는점: 54 · 54-57 °C (lit.)
끓는 점: 65 · 65-68°C 1mm
밀도: 1.2483 · 1.2483 (estimate)
인화점: 159 °F · 159 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 50 · 에탄올: 가용성50, 투명, 무색 내지 희미한 노란색 또는 황갈색(mg/mL)
산도 계수 (pKa): 7.97 · 7.97±0.10(Predicted)
물리적 상태: 크리스탈
색상: 흰색에서 베이지색
BRN: 2078616 · 2078616
InChI: InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N
SMILES: C1(O)=CC(F)=CC(F)=C1
NIST: 3 · 3,5-Difluorophenol(2713-34-0)

화학적 성질

white to beige crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29081000
risk_code: 20/21/22-36/37/38-34-11
hazard_code: Xn,Xi,C,F
safety_code: 26-36-45-36/37/39-16
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야 · 1건

용도3,5-Difluorophenol is an important medicine, pesticide, and liquid crystal material intermediate, mainly used in the synthesis of liquid crystal materials and antifungal agents, and also used in the synthesis of dyes, plastics and rubber additives.