4,4,4-트리플루오로-1-부타놀

4,4,4-트리플루오로-1-부타놀 · 4,4,4-TRIFLUOROBUTAN-1-OL · 4,4,4-TRIFLUOROBUTANOL · 4,4,4-Trifluoro-n-butanol · Trifluorobutanol · 4,4,4-trifluoroprolol · 4,4,4-Trifluorobutan-1 · 4,4,4-Trifluoro-1-butano

https://huagongshe.com/ko/chemical/136307

식별자 및 물리적 특성

CAS No.	461-18-7
분자식	C4H7F3O
평균 분자량	128.09 g/mol
단동위원소 질량	128.0448995 g/mol
SMILES	OCCCC(F)(F)F
InChIKey	VKRFUGHXKNNIJO-UHFFFAOYSA-N
PubChem CID	136307
ChEMBL	CHEMBL4438811
EC No.	610-282-2
DTXSID	DTXSID40196714
현지명	4,4,4-트리플루오로-1-부타놀

화학 및 물리적 성질

XLogP	0.9
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	8
형식 전하	0
복잡도	58.8
PFAS	PFAS -> F-telomer alcohols (FTOH)
LogP(분배 계수)	0.9
끓는 점	123 °C
밀도	1,193 g/cm3
굴절률	1.3425
인화점	52°C
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	투명한 액체
pKa(산도 계수)	14.76±0.10(Predicted)
색상	무색 내지 거의 무색
BRN	1736068
InChI	InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey	VKRFUGHXKNNIJO-UHFFFAOYSA-N
SMILES	C(O)CCC(F)(F)F
EPA	4,4,4-Trifluorobutan-1-ol (461-18-7)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	1993
관세 코드	29055900
위험 문구(R)	10-22-36
위험 표시	F,Xn
안전 문구(S)	23-24/25-26
포장분류	III
위험 등급	3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3
위험 참고 사항	Flammable
저장 분류	3 - Flammable liquids

용도

4,4,4-Trifluoro-1-butanol is a fluorinated alcohol compound used as a synthetic reagent or organic solvent. It can react with aldehydes and ketones to form alcohols and with carboxylic acids to form esters. It can also react with halogens to form halogenated hydrocarbons and with nitrogen-containing compounds to form amines and other compounds. Its solvent properties contribute to the efficient dissolution and preparation of other compounds.