5-Bromonicotinohydrazide

HCID 696365

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Basic information

CAS: 112193-41-6
Standard SMILES: NNC(=O)c1cncc(Br)c1
InChIKey: VERXTAUONOFMLH-UHFFFAOYSA-N
Molecular formula: C6H6BrN3O
Average molar mass: 216.04 g/mol
Monoisotopic mass: 214.96942391

Names & identifiers

Preferred name: 5-Bromonicotinohydrazide
IUPAC: 5-bromopyridine-3-carbohydrazide
English name: 5-Bromopyridine-3-carbohydrazide
Molecular formula: C6H6BrN3O
Molecular weight: 216.04

Names & synonyms

5-BromonicotinohydrazideRefChem:534075814-367-75-bromopyridine-3-carbohydrazide112193-41-6MFCD00173916Maybridge1_006123SCHEMBL758123MLS0010491635-bromonicotinic acid hydrazideCHEMBL15342445-bromo-3-pyridinecarbohydrazide

Show more names

ST5160314SMR000427797ZINC00071428BUTTPARK 98\04-61AKOS BBS-00000359

3-Pyridinecarboxylic acid, 5-bromo-, hydrazide3-Pyridinecarboxylicacid,5-bromo-,hydrazideSCHEMBL314180705-Bromo-nicotinic acid hydrazideHMS558O07DTXSID10351297VERXTAUONOFMLH-UHFFFAOYSA-NHMS2799D10

Database identifiers

CAS: 112193-41-6
PubChem CID: 696365
DTXSID: DTXSID10351297
ChEMBL: CHEMBL1534244
EC Number: 814-367-7

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 68 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Experimental & physicochemical properties

Solubility32.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 204 · 204-205
Density: 1.709 · 1.709±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: crystalline powder
pka: 10 · 10+-.0.10(Predicted)
color: Off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2933299090 · 2933299090

Safety & regulation

GHS classification

GHS Classification · 4 items

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