Oxiniacic Acid

HCID 16976CAS 2398-81-4

Grundinformationen

Standard-SMILES
O=C(O)c1ccc[n+]([O-])c1
InChIKey
FJCFFCXMEXZEIM-UHFFFAOYSA-N
Summenformel
C6H5NO3
Durchschnittliche Molmasse
139,11 g/mol
Monoisotopische Masse
139,02694302

Namen und Bezeichner

Bevorzugter Name
Oxiniacic Acid
IUPAC
1-oxidopyridin-1-ium-3-carboxylic acid
Englischer Name
Nicotinic acid N-oxide
Summenformel
C6H5NO3
Molmasse
139.11

Namen und Synonyme

Nicotinic acid N-oxide2398-81-4Oxiniacic acidNicotinic acid 1-oxide3-Pyridinecarboxylic acid, 1-oxideNicotinic acid oxideAcido oxiniacicoAcide oxiniaciqueAcidum oxiniacicumN-Hydroxynicotinic acid3-Pyridinecarboxylic acid oxide3-Carboxypyridine N-oxide
Weitere Namen anzeigen
OxiniacicOxyniacinNicotinic N-oxideOxynicotinic acidRARECHEM AL BO 0712TIMTEC-BB SBB004182N-oxidenicotinic acidSPECS AJ-333/25022123
Pyridine-3-carboxylic acid N-oxideYY03Q39E6LAcide oxiniacique [INN-French]Acido oxiniacico [INN-Spanish]DTXSID2046543Oxiniacic acid [INN:DCF]NSC-93890Acidum oxiniacicum [INN-Latin]

Datenbank-Bezeichner

CAS
2398-81-4
PubChem CID
16976
DTXSID
DTXSID2046543
ChEMBL
CHEMBL1591725
ChEBI
CHEBI:134763
UNII
YY03Q39E6L
EC Number
219-265-0
Nikkaji
J1.334.729H、J1.809K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,6
Polarare Oberfläche (TPSA)
62,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
254 · 254-255 °C (dec.)(lit.)
Siedepunkt
255.04 °C · 255.04°C (rough estimate)
Dichte
1.4429 · 1.4429 (rough estimate)
Brechungsindex
1.5423 · 1.5423 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
benzene: insoluble

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (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 exposure; Respiratory 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.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350
Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);Acute Tox. 4 (33.3%);STOT SE 3 (33.3%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 13-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7350

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29333999
risk_code
20/21-36/37/38
hazard_code
Xn,Xi
safety_code
22-24/25-36-26

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Pyridinecarboxylic acid, 1-oxide: ACTIVE

Anwendungen

Verwendenantilipemic

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
河北贞田食品添加剂有限公司0319-5925599 13373390591
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

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