5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산

5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산 · BUTTPARK 37\08-24 · 5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID · 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furoicacid97% · 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furoic acid 97% · 5-(4-Chlorophenyl)-2-(Trifluoromethyl)Furan-3-Carboxylic · 5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic acid · 5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)FURAN-3-CARBOXYLIC ACID

https://huagongshe.com/ko/chemical/2736644

5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산 분자 구조식

식별자 및 물리적 특성

CAS No.	175276-60-5
분자식	C12H6ClF3O3
평균 분자량	290.62 g/mol
단동위원소 질량	289.99575639 g/mol
SMILES	O=C(O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIKey	BQUIEVOFWHVZAW-UHFFFAOYSA-N
PubChem CID	2736644
EC No.	672-010-9
DTXSID	DTXSID80371503
현지명	5-(4-클로로페닐)-2-(트리플루오로메틸)푸란-3-카복실산

화학 및 물리적 성질

XLogP	3.7
극성 표면적	50.4
수소 결합 공여자 수	1
수소 결합 수용자 수	6
회전 가능 결합 수	2
무거운 원자 수	19
형식 전하	0
복잡도	340
녹는점	188-190°C
끓는 점	400.6±45.0 °C(Predicted)
밀도	1.486±0.06 g/cm3(Predicted)
pKa(산도 계수)	2.85±0.26(Predicted)
물리적 상태	solid
InChI	1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)
InChIKey	BQUIEVOFWHVZAW-UHFFFAOYSA-N
SMILES	OC(=O)c1cc(oc1C(F)(F)F)-c2ccc(Cl)cc2

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류	DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (33.3%)
수질 위해 등급(WGK)	WGK 3
관세 코드	2932190090
위험 문구(R)	36/37/38-34-25
위험 표시	Xi,C,T
안전 문구(S)	26-36/37/39-45-22
위험 참고 사항	Irritant
위험 등급	Acute Tox. 3 Oral
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects