2-Hydrazinylpyrimidine

HCID 346558

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Basic information

CAS: 7504-94-1
Standard SMILES: NNc1ncccn1
InChIKey: QDGHXQFTWKRQTG-UHFFFAOYSA-N
Molecular formula: C4H6N4
Average molar mass: 110.12 g/mol
Monoisotopic mass: 110.05924619

Names & identifiers

Preferred name: 2-Hydrazinylpyrimidine
IUPAC: pyrimidin-2-ylhydrazine
English name: 2(1H)-Pyrimidinone, hydrazone (9CI)
Molecular formula: C4H6N4
Molecular weight: 110.12

Names & synonyms

2-hydrazinylpyrimidineRefChem:472985804-286-52-hydrazinopyrimidine7504-94-1pyrimidin-2-ylhydrazineMFCD01249337pyrimidine-2-ylhydrazinePyrimidin-2-yl-hydrazine2(1H)-pyrimidinone hydrazone2-hydrazinylprimidineSTK399010

Show more names

2-PyrimidinylhydrazinePyrimidine, 2-hydrazinyl-1-(2-Pyrimidinyl)hydrazine1-(Pyrimidine-2-yl)hydrazine2-Hydrazono-2,3-dihydropyrimidine2(1H)-Pyrimidinone, hydrazone (9CI)2-hydrazinopyrimidine(SALTDATA: FREE)2(1H)-Pyrimidinone, hydrazone (9CI) ISO 9001：2015 REACH

CS-W005381BS-12831EN300-30892MFCD237044042(1H)-Pyrimidinone, hydrazone2-hydrazino-pyrimidinehydrazinopyrimidineaminoiminopyrimidine

Database identifiers

CAS: 7504-94-1
PubChem CID: 346558
DTXSID: DTXSID70323773
ChEMBL: CHEMBL3794078
EC Number: 804-286-5
Nikkaji: J52.290B

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 63.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 59.1

Physicochemical properties

Melting point: 86 · 86-88 °C(Solv: benzene (71-43-2))
Boiling point: 246.3 · 246.3±23.0 °C(Predicted)
Density: 1.39 · 1.39±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: solid
pka: 6.17 · 6.17±0.20(Predicted)
color: Off-white
InChI: InChI=1S/C4H6N4/c5-8-4-6-2-1-3-7-4/h1-3H,5H2,(H,6,7,8)
InChIKey: QDGHXQFTWKRQTG-UHFFFAOYSA-N
SMILES: C1(NN)=NC=CC=N1
CAS DataBase Reference: 7504 · 7504-94-1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261
target organs: Respiratory system
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: WGK 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P261

Chemistry & industry

Applications

Uses2-Hydrazinopyrimidine and other pyrimidinylhydrazones have been used to study the fungicidal activity of heteroaromatic aldehyde and ketone pyrimidinylhydrazones.