3,6-Dichloropyridazine-4-carbonyl chloride

HCID 81018

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Basic information

CAS: 6531-08-4
Standard SMILES: O=C(Cl)c1cc(Cl)nnc1Cl
InChIKey: UGKIAJNNQAMSHX-UHFFFAOYSA-N
Molecular formula: C5HCl3N2O
Average molar mass: 211.43 g/mol
Monoisotopic mass: 209.91544569

Names & identifiers

Preferred name: 3,6-Dichloropyridazine-4-carbonyl chloride
IUPAC: 3,6-dichloropyridazine-4-carbonyl chloride
English name: 3,6-dichloropyridazine-4-carbonyl chloride
Molecular formula: C5HCl3N2O
Molecular weight: 211.43

Names & synonyms

3,6-Dichloropyridazine-4-carbonyl chloride6531-08-43,6-dichloro-4-Pyridazinecarbonyl chlorideDTXSID60215653EINECS 229-426-7RefChem:487535DTXCID90138144229-426-73,6-dichloropyridazine-4-carbonylchloride5GXX6PQ2EG3,6-dichloro-4-pyridazinecarboxylic acid chloride3,6-dichloropyridazine-4-carboxylic acid chloride

Show more names

4-Pyridazinecarbonyl chloride, 3,6-dichloro-

3,6-dichloropyridazine-5-carboxylic acid chlorideSCHEMBL354023SCHEMBL30833982AKOS000121745DA-245913,6-Dichloropyridazin-4-carbonyl chloride3, 6-dichloropyridazine-4-carbonyl chlorideNS00046886

Database identifiers

CAS: 6531-08-4
PubChem CID: 81018
DTXSID: DTXSID60215653
UNII: 5GXX6PQ2EG
EC Number: 229-426-7
Nikkaji: J225.169H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 166

Physicochemical properties

Boiling point: 349.3 · 349.3±37.0 °C(Predicted)
Density: 1.675 · 1.675±0.06 g/cm3(Predicted)
pka: -4.29 · -4.29±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.