CAS 7145-62-2 3-Chloro-6-(methylsulfonyl)pyridazine (HCID 252476)

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Basic information

CAS: 7145-62-2
Standard SMILES: CS(=O)(=O)c1ccc(Cl)nn1
InChIKey: BUHGCLPAHGFCLE-UHFFFAOYSA-N
Molecular formula: C5H5ClN2O2S
Average molar mass: 192.62 g/mol
Monoisotopic mass: 191.97602608

Names & identifiers

Preferred name: 3-Chloro-6-(methylsulfonyl)pyridazine
IUPAC: 3-chloro-6-methylsulfonylpyridazine
English name: 3-Chloro-6-(methylsulfonyl)pyridazine
Molecular formula: C5H5ClN2O2S
Molecular weight: 192.62

Names & synonyms

3-chloro-6-(methylsulfonyl)pyridazine7145-62-23-chloro-6-methanesulfonylpyridazineDTXSID30291247RefChem:500253DTXCID10242393969-980-33-chloro-6-methylsulfonylpyridazineMFCD03931474Pyridazine, 3-chloro-6-(methylsulfonyl)-NSC74444NCIOpen2_000550

Show more names

3-Chloro-6-(methylsulfonyl)3-bromo-6-(methylsulfonyl)pyridazine

SCHEMBL427846SCHEMBL30252450BUHGCLPAHGFCLE-UHFFFAOYSA-NNSC 74444NSC-74444AKOS0062811843-Chloro-6-(methanesulfonyl)pyridazineDA-23752

Database identifiers

CAS: 7145-62-2
PubChem CID: 252476
DTXSID: DTXSID30291247
EC Number: 969-980-3

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 68.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 223

Physicochemical properties

Boiling point: 451.4 · 451.4±45.0 °C(Predicted)
Density: 1.486 · 1.486±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.66 · -2.66±0.10(Predicted)
HS Code: 2933998090 · 2933998090

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, 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.