Pyrazine-2-Carboxylic Acid Hydrazide

HCID 258796

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Basic information

CAS: 768-05-8
Standard SMILES: NNC(=O)c1cnccn1
InChIKey: OHFIJHDYYOCZME-UHFFFAOYSA-N
Molecular formula: C5H6N4O
Average molar mass: 138.13 g/mol
Monoisotopic mass: 138.05416081

Overview

structure in first source

Names & identifiers

Preferred name: Pyrazine-2-Carboxylic Acid Hydrazide
IUPAC: pyrazine-2-carbohydrazide
English name: Pyrazinoic acid hydrazide
Molecular formula: C5H6N4O
Molecular weight: 138.13

Names & synonyms

Pyrazine-2-carboxylic acid hydrazideRefChem:870461pyrazine-2-carbohydrazide768-05-8Pyrazinoic acid hydrazidePyrazinoic acid, hydrazideMFCD00778762PYRAZINECARBOXYLIC ACID, HYDRAZIDEM 792pyrazine-2-hydrazidePyrazinylcarbonylhydrazineUNII-V9GFH1A08Z

Show more names

DS-1594bDS-1594AKOS BBS-00004101pyrazinohydrazidePyrazine-2-carbohydrazidPyrazin-2-carbohydrazidePyrazine-2-carboxylic hydrazide

PYRAZINECARBOHYDRAZIDEV9GFH1A08ZDTXSID90227608Pyrazine-2-CarboxylicacidhydrazidePyrazine Carboxylic Acid HydrazideNSC88100NSC-88100AKOS000268734

Database identifiers

CAS: 768-05-8
PubChem CID: 258796
DTXSID: DTXSID90227608
ChEMBL: CHEMBL125613
UNII: V9GFH1A08Z
EC Number: 872-028-9
Nikkaji: J3.087.337H

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 169 °C · 169 °C
Density: 1.335 · 1.335±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.07 · 10.07±0.10(Predicted)
Appearance: Light yellow to light brown Solid
CAS DataBase Reference: 768 · 768-05-8(CAS DataBase Reference)
FDA UNII: 9 GFH1A08Z · V9GFH1A08Z
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H312
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501