3-Chloropyridazine

HCID 11274989CAS 1120-95-2

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Basic information

Standard SMILES: Clc1cccnn1
InChIKey: IBWYHNOFSKJKKY-UHFFFAOYSA-N
Molecular formula: C4H3ClN2
Average molar mass: 114.53 g/mol
Monoisotopic mass: 113.99847578

Names & identifiers

Preferred name: 3-Chloropyridazine
IUPAC: 3-chloropyridazine
English name: 3-Chloropyridazine
Molecular formula: C4H3ClN2
Molecular weight: 114.53

Names & synonyms

3-Chloropyridazine1120-95-2DTXSID60460767RefChem:500528DTXCID50411586815-311-4pyridazine, 3-chloro-MFCD068013563-Chloro-1,2-diazine3-Chloro-pyridazinechloropyridazineF2124-1211

Show more names

IFLAB-BB F2124-04063-CHLOROPYRIDAZINE ISO 9001：2015 REACH

3-Chloropyridazine?New6-CHLORO-PYRIDAZINESCHEMBL28259SCHEMBL206886SCHEMBL7915233-Chloropyridazine, AldrichCPRSCHEMBL1652191SCHEMBL5752795

Database identifiers

CAS: 1120-95-2
PubChem CID: 11274989
DTXSID: DTXSID60460767
EC Number: 815-311-4
Nikkaji: J151.402D

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 57.7

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.1

Physicochemical properties

Melting point: 35 °C · 35 °C
Boiling point: 241.7 · 241.7±13.0 °C(Predicted)
Density: 1.303 · 1.303±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Very Slightly, Heated, Sonicated), Methanol (Slightly)
form: Solid
pka: 0.99 · 0.99±0.10(Predicted)
color: Grey to Black
Stability: Unstable in DMSO
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H335
Precautionary statements: 264 · P264-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.