Heptafluorobutanol

1H,1H-HEPTAFLUOROBUTAN-1-OL · HEPTAFLUOROBUTANOL · (Perfluoropropyl)methanol · Butanol, 2,2,3,3,4,4,4-heptafluoro- · HEPTAFLUORO-1-BUTANOL · 1,1H-perfluorobutanol · 1H,1H-Perfluorobutanol · 1H,1H-HEPTAFLUOROBUTANOL

https://huagongshe.com/ko/chemical/9776

식별자 및 물리적 특성

CAS No.	375-01-9
분자식	C3F7CH2OH
평균 분자량	200.05 g/mol
단동위원소 질량	200.00721226 g/mol
SMILES	OCC(F)(F)C(F)(F)C(F)(F)F
InChIKey	WXJFKAZDSQLPBX-UHFFFAOYSA-N
PubChem CID	9776
ChEMBL	CHEMBL4570439
EC No.	206-782-1
DTXSID	DTXSID4059914

화학 및 물리적 성질

XLogP	1.9
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	8
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	159
물질 분류	Other Classes -> Halogenated Alcohols
PFAS	PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Fluorotelomer based substancesPFAS -> OECD CategoryPFAS -> Other/unspecifiedPFAS -> F-telomer alcohols (FTOH)
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	1.81
증기압	33.1 [mmHg]
Physical Description	Colorless liquid[Alfa Aesar MSDS]
끓는 점	96-97 °C(lit.)
밀도	1.6 g/mL at 25 °C(lit.)
굴절률	n20/D 1.3(lit.)
인화점	77 °F
저장 조건	Flammables area
물리적 상태	결정성 분말
pKa(산도 계수)	12.53±0.10(Predicted)
비중	1.600
색상	흰색~밝은 베이지
용해도	물에 섞이거나 혼합하기 어렵지 않습니다.
BRN	1761907
헨리 상수	2.1×10-2 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI	InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
InChIKey	WXJFKAZDSQLPBX-UHFFFAOYSA-N
SMILES	C(O)C(F)(F)C(F)(F)C(F)(F)F
EPA	1-Butanol, 2,2,3,3,4,4,4-heptafluoro- (375-01-9)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

위험 참고 사항
GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28355
유해성 요약	Produced signs of neurotoxicity (narcosis) in 6-hr lethal-concentration study of ratsSignificantly increased mean liver weights (accompanied by increased alkaline phosphatase) observed in 5-day inhalation study of rats at 1,000 ppm/6hr/day[EPA - TSCATS] A skin and strong eye irritantHarmful by inhalation[Alfa Aesar MSDS] See 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
유해 작용	Neurotoxin - Acute solvent syndrome
Toxicity Data	LC50 (rat) > 2,000 ppm/6hr
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	EL4130000
운송 번호(UN)	UN 1987 3/PG 3
관세 코드	29055900
위험 문구(R)	10-36/37/38
위험 표시	Xi,F
안전 문구(S)	16-26
포장분류	III
위험 등급	3Flam. Liq. 3

용도

2,2,3,3,4,4,4-Heptafluoro-1-butanol can be used to synthesize poly(2-hydroxyethyl vinyl ether)-block-poly(2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl vinyl ether) (poly(HOVE-b-HFBOVE), a fluorinated amphiphilic block copolymer.