5-Oxo-5-(2-thienyl)valeric acid

5-(2-THIENOYL)BUTYRIC ACID · 4-(2-THIENOYL)BUTYRIC ACID · 5-OXO-5-(2-THIENYL)VALERIC ACID · 5-keto-5-(2-thienyl)valeric acid · 5-oxo-5-(2-thienyl)pentanoic acid · 2-Thiophenepentanoic acid, δ-oxo- · 5-OXO-5-(2-THIENYL)VALERIC ACID 95% · 5-oxo-5-(2-Thienyl)valeric acid ,97%

https://huagongshe.com/ko/chemical/255155

식별자 및 물리적 특성

CAS No.	22971-62-6
분자식	C9H10O3S
평균 분자량	198.24 g/mol
단동위원소 질량	198.03506535 g/mol
SMILES	O=C(O)CCCC(=O)c1cccs1
InChIKey	GSQMRVFOHNXKOR-UHFFFAOYSA-N
PubChem CID	255155
EC No.	681-852-6
DTXSID	DTXSID50292130

화학 및 물리적 성질

XLogP	1.4
극성 표면적	82.6
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	5
무거운 원자 수	13
형식 전하	0
복잡도	203
녹는점	94-97°C
끓는 점	407.8±25.0 °C(Predicted)
밀도	1.282±0.06 g/cm3(Predicted)
저장 조건	2-8°C(protect from light)
pKa(산도 계수)	4.59±0.10(Predicted)
BRN	141775

화학적 성질

White solid

안전 및 규제

GHS 분류	WarningH315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 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.
Hazard Classes and Categories	Skin Sens. 1 (20%)Eye Irrit. 2 (100%)
관세 코드	29349990
위험 문구(R)	36/37/38
안전 문구(S)	26-36