2-[4-(브로모메틸)페닐]-1,1,1,3,3,3-헥사플루오로프로판-2-올

2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

HCID 23527396

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 202134-57-4
표준 SMILES: OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
InChIKey: LVLBRKWIJOFEHS-UHFFFAOYSA-N
분자식: C10H7BrF6O
평균 분자량: 337.06 g/mol
단동위원소 질량: 335.95845

이름 및 식별자

우선 이름: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
IUPAC: 2-[4-(bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
현지명: 2-[4-(브로모메틸)페닐]-1,1,1,3,3,3-헥사플루오로프로판-2-올
영어명: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
분자식: C10H7BrF6O
분자량: 337.06

이름 및 동의어

202134-57-42-(4-(Bromomethyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olDTXSID00634748RefChem:251846DTXCID60585500851-070-12-[4-(Bromomethyl)phenyl]hexafluoropropan-2-ol4-(Hexafluoro-2-hydroxyisopropyl)benzyl bromideMFCD09998077Benzenemethanol, 4-(bromomethyl)-alpha,alpha-bis(trifluoromethyl)-4-(HEXAFLUORO-2-HYDROXYISOPROPYL)-BENZYL BROMIDE

이름 더 보기

2-[4-(브로모메틸)페닐]-1,1,1,3,3,3-헥사플루오로프로판-2-올4-(2-Hydroxyperfluoroprop-2-yl)benzyl bromideBenzenemethanol,4-(bromomethyl)-a,a-bis(trifluoromethyl)-Benzenemethanol, 4-(bromomethyl)-α,α-bis(trifluoromethyl)-4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, 1-(Bromomethyl)-4-[perfluoro(2-hydroxyprop-2-yl)]benzene4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, alpha,alpha-Bis(trifluoromethyl)-4-(bromomethyl)benzyl alcohol

SCHEMBL1512233CHEMBL5778101BDBM2614982-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanolAKOS007930054AS-37853US9708268, 1F330832

데이터베이스 식별자

CAS: 202134-57-4
PubChem CID: 23527396
DTXSID: DTXSID00634748
ChEMBL: CHEMBL5778101
EC Number: 851-070-1

물성

구조 계산 물성

XLogP: 4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 265

물리화학적 성질

끓는 점: 300.2 · 300.2±42.0 °C(Predicted)
밀도: 1.69 · 1.690±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.1 · 9.10±0.15(Predicted)
물리적 상태: 액체
색상: Clear, colourless

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.