4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-

HCID 328870CAS 646-97-9

기본 정보

표준 SMILES: C=CCC(O)(C(F)(F)F)C(F)(F)F
InChIKey: VHSCQANAKTXZTG-UHFFFAOYSA-N
분자식: C6H6F6O
평균 분자량: 208.1 g/mol
단동위원소 질량: 208.03228413

이름 및 식별자

우선 이름: 4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
IUPAC: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
영어명: 1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)PENT-4-EN-2-OL
분자식: C6H6F6O
분자량: 208.1

이름 및 동의어

4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-RefChem:526232613-651-6646-97-91,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol2-allylhexafluoroisopropanol1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-olMFCD03092986BTHB4-Penten-2-ol,1,1-trifluoro-2-(trifluoromethyl)-1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol #2-Allylhexafluoroisopropanol 97%

이름 더 보기

ALLYLHEXAFLUOROISO-PROPANOL2-Allylhexafluoroisopropanol99%2-Allylhexafluoroisopropanol97%1,1-Bis(trifluoromethyl)-3-butene-1-olAllyl hexafluoroisopropanol (Allyl-HFIP)2-Allyl-1,1,1,3,3,3-hexafluoro-2-propanol1,1,1,2,3,3-hexafluoro-4-methyl-4-penten-2-ol

AMY6825NSC309805allylhexafluoroisopropanolallylhexafluoro-isopropanolFT-0610995SCHEMBL239594SCHEMBL8016612DTXSID40316970

데이터베이스 식별자

CAS: 646-97-9
PubChem CID: 328870
DTXSID: DTXSID40316970
EC Number: 613-651-6
Nikkaji: J117.107K

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

물리화학적 성질

끓는 점: 97 °C · 97 °C
밀도: 1.36 g/ml · 1.36g/ml
굴절률: 1.332 to · 1.3320 to 1.3360
인화점: 45 ° · 45°
산도 계수 (pKa): 9.62 · 9.62±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2
InChIKey: VHSCQANAKTXZTG-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(C(F)(F)F)(O)CC=C

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (96.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.