4-Bromo-2,6-difluorophenol

HCID 2736292CAS 104197-13-9

기본 정보

표준 SMILES: Oc1c(F)cc(Br)cc1F
InChIKey: GPRPSJPFAAGLCA-UHFFFAOYSA-N
분자식: C6H3BrF2O
평균 분자량: 208.99 g/mol
단동위원소 질량: 207.93353326

이름 및 식별자

우선 이름: 4-Bromo-2,6-difluorophenol
IUPAC: 4-bromo-2,6-difluorophenol
영어명: 4-Bromo-2,6-difluorophenol
분자식: C6H3BrF2O
분자량: 208.99

이름 및 동의어

4-Bromo-2,6-difluorophenol104197-13-9DTXSID10371253RefChem:290598DTXCID30322287642-788-44-bromo-2,6-difluoro-phenolMFCD00236213Phenol, 4-bromo-2,6-difluoro-2,6-difluoro-4-bromophenol2,6 difluoro-4-bromophenolSCHEMBL13029

이름 더 보기

CAS:104197-13-94-Bromo-2,6-difL4-BROMO-2,6-DIFLUOROPHE4-Bromo-2,6-difluorophenol98%4-Bromo-2,6-difluorophenol 98%4-BROMO-2,6-DIFLUOROPHENOL ISO 9001：2015 REACH2,6-Difluoro-4-Bromophenol 4-Bromo-2,6-Difluoro Phenol

2,6-difluoro-4-bromo-phenol2.6-difluoro-4-bromophenolPhenol,4-bromo-2,6-difluoro-GPRPSJPFSBB094133AKOS015889715AC-1586CS-W015183

데이터베이스 식별자

CAS: 104197-13-9
PubChem CID: 2736292
DTXSID: DTXSID10371253
EC Number: 642-788-4
Nikkaji: J1.298.344A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 50 °C · 50°C
끓는 점: 180.2 · 180.2±35.0 °C(Predicted)
밀도: 1.858 · 1.858±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 6.89 · 6.89±0.23(Predicted)
BRN: 8543473 · 8543473
InChI: InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: GPRPSJPFAAGLCA-UHFFFAOYSA-N
SMILES: C1(O)=C(F)C=C(Br)C=C1F

화학적 성질

White crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.