3,3,4,4,4-펜타플루오로-2-부탄올

3,3,4,4,4-Pentafluorobutan-2-ol

HCID 78991

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 374-40-3
표준 SMILES: CC(O)C(F)(F)C(F)(F)F
InChIKey: BUGIAHXXBFVPGW-UHFFFAOYSA-N
분자식: C4H5F5O
평균 분자량: 164.07 g/mol
단동위원소 질량: 164.02605559

이름 및 식별자

우선 이름: 3,3,4,4,4-Pentafluorobutan-2-ol
IUPAC: 3,3,4,4,4-pentafluorobutan-2-ol
현지명: 3,3,4,4,4-펜타플루오로-2-부탄올
영어명: 3,3,4,4,4-Pentafluoro-2-butanol
분자식: C4H5F5O
분자량: 164.07

이름 및 동의어

3,3,4,4,4-Pentafluorobutan-2-ol3,3,4,4,4-Pentafluoro-2-butanolEINECS 206-776-9RefChem:485105206-776-9374-40-33,3,4,4,4-Pentafluorobutanol-21-PentafluoroethylethanolMFCD00042432DTXSID70880134Pentafluorobutanol-21,1,1,2,2-pentafluorobutan-3-ol

이름 더 보기

3,3,4,4,4-펜타플루오로-2-부탄올2-PENTAFLUOROBUTANOLPENTAFLUORO-2-BUTANOLPENTAFLUOROETHYLMETHYLCARBINOL4,4,4,3,3-PENTAFLUOROBUTAN-2-OL3,3,3,4,4-PENTAFLUOROBUTAN-2-OL

SCHEMBL507370SCHEMBL1766403SCHEMBL2872494SBB087752AKOS006230579AT46890racemic 3,3,4,4,4-pentafluoro-2-butanolNS00019009

데이터베이스 식별자

CAS: 374-40-3
PubChem CID: 78991
DTXSID: DTXSID70880134
EC Number: 206-776-9
Nikkaji: J213.571J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 117

물리화학적 성질

끓는 점: 83 °C · 83 °C
밀도: 1 · 1,315 g/cm3
굴절률: 1.315 · 1.315
인화점: -25 °C · -25°C
물리적 상태: 액체
산도 계수 (pKa): 12.52 · 12.52±0.20(Predicted)
색상: 투명한
EPA: 1 · 1-Pentafluoroethylethanol (374-40-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.