2-프로피오닐피리딘

2-프로피오닐피리딘 · 1-Propanone, 1-(2-pyridinyl)- · 1-(2-Pyridinyl)-1-propanone · 1-(PYRIDIN-2-YL)PROPAN-1-ONE · 2-Propanoylpyridine · 2-PROPIONYLPYRIDINE · 2-PYRIDYL ETHYL KETONE · 1-(2-pyridyl)propan-1-one

https://huagongshe.com/ko/chemical/520574

식별자 및 물리적 특성

CAS No.	3238-55-9
분자식	C8H9NO
평균 분자량	135.16 g/mol
단동위원소 질량	135.06841391 g/mol
SMILES	CCC(=O)c1ccccn1
InChIKey	ZHAZHKPVEROFLH-UHFFFAOYSA-N
PubChem CID	520574
EC No.	877-127-0
DTXSID	DTXSID00334397
현지명	2-프로피오닐피리딘

화학 및 물리적 성질

XLogP	1.3
극성 표면적	30
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	10
형식 전하	0
복잡도	122
Kovats Retention Index	11651102111411371676
녹는점	206-207 °C
끓는 점	95-100 °C(Press: 15 Torr)
밀도	1.034±0.06 g/cm3(Predicted)
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	액체
pKa(산도 계수)	3.02±0.10(Predicted)
색상	옅은 노랑
InChI	1S/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKey	ZHAZHKPVEROFLH-UHFFFAOYSA-N
SMILES	CCC(=O)c1ccccn1
NIST	1-Propanone, 1-(2-pyridinyl)-(3238-55-9)

안전 및 규제

GHS 분류	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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.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	Acute Tox. 4 (100%)Skin Irrit. 2 (66.7%)Eye Dam. 1 (33.3%)Eye Irrit. 2 (66.7%)STOT SE 3 (66.7%)
수질 위해 등급(WGK)	WGK 3
관세 코드	2933399990
위험 문구(R)	22-36
위험 표시	Xn
안전 문구(S)	26
위험 등급	IRRITANTAcute Tox. 4 OralEye Irrit. 2
저장 분류	11 - Combustible Solids

용도

2-Propionylpyridine is used in preparation of Oxodiphenyldihydropyrazolecarboxamide derivatives and analogs for use as ACSS2 inhibitors.