Picolinohydrazide

HCID 255881CAS 1452-63-7

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Grundinformationen

Standard-SMILES: NNC(=O)c1ccccn1
InChIKey: BAQLNPIEFOYKNB-UHFFFAOYSA-N
Summenformel: C6H7N3O
Durchschnittliche Molmasse: 137,14 g/mol
Monoisotopische Masse: 137,05891184

Namen und Bezeichner

Bevorzugter Name: Picolinohydrazide
IUPAC: pyridine-2-carbohydrazide
Englischer Name: Pyridine-2-carboxylic acid hydrazide
Summenformel: C6H7N3O
Molmasse: 137.14

Namen und Synonyme

picolinohydrazide1452-63-72-IsoniazidPicolinic Acid Hydrazide2-Pyridinecarboxylic acid, hydrazideKS1CG3S7U1NSC-81875NSC 81875.ALPHA.-PICOLINOHYDRAZIDEDTXSID401629342-(HYDRAZINOCARBONYL)PYRIDINE2-PYRIDINECARBOXYLIC HYDRAZIDE

Weitere Namen anzeigen

WS-104AKOS B0149962-IsoniazideAKOS BBS-00004147PicolinylhydrazideIsoniazid 2-IsomerPicoline hydrazide

RefChem:863122ALPHA-PICOLINOHYDRAZIDEDTXCID3085425675-820-0pyridine-2-carbohydrazide2-Picolinyl Hydrazide2-PyridinecarbohydrazidePyridine-2-carboxylic acid hydrazide

Datenbank-Bezeichner

CAS: 1452-63-7
PubChem CID: 255881
DTXSID: DTXSID40162934
ChEMBL: CHEMBL331508
UNII: KS1CG3S7U1
EC Number: 675-820-0
Nikkaji: J150.822I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 68 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 100 °C · 100°C
Siedepunkt: 100 · 100-102 °C
Dichte: 1.244 · 1.244
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 11.29 · 11.29±0.10(Predicted)
Farbe: White to Off-White
InChI: 1S/C6H7N3O/c7-9-6(10)5-3-1-2-4-8-5/h1-4H,7H2,(H,9,10)
InChIKey: BAQLNPIEFOYKNB-UHFFFAOYSA-N
SMILES: NNC(=O)c1ccccn1
CAS Datenbank: 1452 · 1452-63-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29333990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPyridine-2-carboxylic acid hydrazide is an impurity of Isoniazid (I821450), which is an antibiotic for treatment of Mycobacterium tuberculosis and inhibits mycolic acid biosynthesis. Intermediate used for the synthesis of analogs of antitumor agent 1-acetyl-2-picolinoylhydrazine.