CAS 10071-38-2 6-Chloro-2-methyl-2,3-dihydropyridazin-3-one (HCID 2783607)

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Basic information

CAS: 10071-38-2
Standard SMILES: Cn1nc(Cl)ccc1=O
InChIKey: IMBNTYIRTCQBRJ-UHFFFAOYSA-N
Molecular formula: C5H5ClN2O
Average molar mass: 144.56 g/mol
Monoisotopic mass: 144.00904046

Names & identifiers

Preferred name: 6-Chloro-2-methyl-2,3-dihydropyridazin-3-one
IUPAC: 6-chloro-2-methylpyridazin-3-one
English name: 6-Chloro-2-Methyl-2H-pyridazin-3-one
Molecular formula: C5H5ClN2O
Molecular weight: 144.56

Names & synonyms

6-CHLORO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONERefChem:541544855-216-56-chloro-2-methylpyridazin-3(2H)-one10071-38-26-CHLORO-2-METHYL-2H-PYRIDAZIN-3-ONE6-chloro-2-methylpyridazin-3-oneMFCD021786003(2H)-Pyridazinone, 6-chloro-2-methyl-SCHEMBL958356DTXSID00382671BBL029605

Show more names

6-chloro-2-methyl-2,3-dihydropyridazin-3-one - [C81076]

AKOS005714952MB02254SY198399F2199-04976-chloro-2-methyl-pyridazin-3-oneA934457IMBNTYIRTCQBRJ-UHFFFAOYSA-NKAA07138

Database identifiers

CAS: 10071-38-2
PubChem CID: 2783607
DTXSID: DTXSID00382671
EC Number: 855-216-5
Nikkaji: J151.432F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 197

Physicochemical properties

Melting point: 92 · 92-94 °C
Boiling point: 210.7 · 210.7±23.0 °C(Predicted)
Density: 1.37 · 1.37±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.47 · -1.47±0.70(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C5H5ClN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
InChIKey: IMBNTYIRTCQBRJ-UHFFFAOYSA-N
SMILES: C1(=O)N(C)N=C(Cl)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362