Oxiniacic Acid

Oxiniacic · Oxyniacin · OXINIACIC ACID · Nicotinic N-oxide · Oxynicotinic acid · RARECHEM AL BO 0712 · TIMTEC-BB SBB004182 · Nicotinic acid oxide

https://huagongshe.com/ko/chemical/16976

식별자 및 물리적 특성

CAS No.	2398-81-4
분자식	C6H5NO3
평균 분자량	139.11 g/mol
단동위원소 질량	139.02694302 g/mol
SMILES	O=C(O)c1ccc[n+]([O-])c1
InChIKey	FJCFFCXMEXZEIM-UHFFFAOYSA-N
PubChem CID	16976
ChEMBL	CHEMBL1591725
ChEBI	CHEBI:134763
EC No.	219-265-0
DTXSID	DTXSID2046543

화학 및 물리적 성질

XLogP	-0.6
극성 표면적	62.8
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	137
녹는점	254-255 °C (dec.)(lit.)
끓는 점	255.04°C (rough estimate)
밀도	1.4429 (rough estimate)
굴절률	1.5423 (estimate)
저장 조건	Inert atmosphere,Room Temperature
용해도	벤젠: 불용성
물리적 상태	미세 결정성 분말
pKa(산도 계수)	3.19±0.10(Predicted)
색상	베이지색
Merck	14,6941
BRN	115860
InChI	InChI=1S/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)
InChIKey	FJCFFCXMEXZEIM-UHFFFAOYSA-N
SMILES	C1[N+]([O-])=CC=CC=1C(O)=O
NIST	3-Pyridinecarboxylic acid, 1-oxide(2398-81-4)
EPA	3-Pyridinecarboxylic acid, 1-oxide (2398-81-4)

화학적 성질

BEIGE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류	WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (33.3%): 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, 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.
규제 정보	Status: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350
Hazard Classes and Categories	Acute Tox. 4 (33.3%)Acute Tox. 4 (66.7%)Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (33.3%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29333999
위험 문구(R)	20/21-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	22-24/25-36-26
저장 분류	11 - Combustible Solids

용도

antilipemic

일반 설명

Nicotinic acid N-oxide acts as a ligand and forms lead-carboxylate complexes having phosphorescent properties.