Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester

ethylperfluor · TIMTEC-BB SBB008806 · ETHYL PERFLUOROBUTYRATE · ethylperfluorobutanoate · ethylheptafluorobutanoate · Ethyl heptafluorobutyrate · Ethyl heptafluorobutanoate · Ethyl perfluorobutyrate 97%

https://huagongshe.com/ko/chemical/9644

Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester 분자 구조식

식별자 및 물리적 특성

CAS No.	356-27-4
분자식	C6H5F7O2
평균 분자량	242.09 g/mol
단동위원소 질량	242.01777694 g/mol
SMILES	CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey	JVHJRIQPDBCRRE-UHFFFAOYSA-N
PubChem CID	9644
EC No.	206-602-1
DTXSID	DTXSID9059882

화학 및 물리적 성질

XLogP	2.8
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	9
회전 가능 결합 수	4
무거운 원자 수	15
형식 전하	0
복잡도	244
물질 분류	Other Classes -> Halogenated Esters
PFAS	PFAS -> OECD CategoryPFAS -> Other/unspecified
SpringerMaterials Properties	Diamagnetic susceptibility
Physical Description	Colorless liquid[Alfa Aesar MSDS]
끓는 점	95-98°C
밀도	1.396 g/mL at 25 °C (lit.)
굴절률	n20/D 1.302(lit.)
인화점	58 °F
저장 조건	Flammables area
용해도	물에 약간 용해됨
물리적 상태	액체
색상	무색의
BRN	1794634
InChI	InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey	JVHJRIQPDBCRRE-UHFFFAOYSA-N
SMILES	C(OCC)(=O)C(F)(F)C(F)(F)C(F)(F)F
EPA	Ethyl heptafluorobutyrate (356-27-4)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류	DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	Causes convulsions, dyspnea, and cyanosis in intraperitoneal lethal-dose studies of rabbits (LD50 = 250 mg/kg)[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Ethyl 2-bromoisobutyrate and Methyl dichloroacetate.
Hazard Classes and Categories	Flam. Liq. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	ET4200000
운송 번호(UN)	UN 3272 3/PG 2
관세 코드	29159000
위험 문구(R)	11-36/37/38
위험 표시	F,Xi
안전 문구(S)	16-26-33-36
포장분류	II
위험 등급	3Flam. Liq. 2
위험 참고 사항	Highly Flammable
저장 분류	3 - Flammable liquids