CAS 19064-67-6 6-Chloropyridazin-3-ol (HCID 252828)

Substructure search Find similar structures

Basic information

CAS: 19064-67-6
Standard SMILES: O=c1ccc(Cl)n[nH]1
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
Molecular formula: C4H3ClN2O
Average molar mass: 130.53 g/mol
Monoisotopic mass: 129.9933904

Names & identifiers

Preferred name: 6-Chloropyridazin-3-ol
IUPAC: 3-chloro-1H-pyridazin-6-one
English name: 6-Chloropyridazin-3-ol
Molecular formula: C4H3ClN2O
Molecular weight: 130.53

Names & synonyms

6-chloropyridazin-3-olDTXSID30291363RefChem:1073895DTXCID8024250719064-67-66-Chloro-3-hydroxypyridazine6-chloropyridazin-3(2H)-one3(2H)-Pyridazinone, 6-chloro-3-Chloro-6-hydroxypyridazine6-chloro-2H-pyridazin-3-one6-Chloro-3(2H)-pyridazinone3-chloro-1H-pyridazin-6-one

Show more names

Nsc750716-Chloropyridazine-3-ol6-Chloro-3-hydroxypyridaz...

3-Chloro-6-pyridazoneMFCD001604603-Hydroxy-6-chloropyridazine6-Chloro-3(2H)pyridazinone6-Chloro-3-pyridazinol6-chloro-2,3-dihydropyridazin-3-oneMLS0007368186-chloropyridazin-3(2 H)-one

Database identifiers

CAS: 19064-67-6
PubChem CID: 252828
DTXSID: DTXSID30291363
ChEMBL: CHEMBL1385200
UNII: E2DZ9GC2KF
EC Number: 678-370-3
Nikkaji: J100.420D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 173

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 140 to · 140.0 to 144.0 °C
Density: 1.55 · 1.55±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 9.8 · 9.80±0.40(Predicted)
color: White to Almost white
InChI: InChI=1S/C4H3ClN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(Cl)C=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (20%): 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)

Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 4 (20%)

Safety data

hs_code: 2933998090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H335-H315-H319
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses6-Chloropyridazin-3(2h)-one (cas# 19064-67-6) is a useful research chemical.

Uses6-Chloropyridazin-3-ol is a white to almost white powder or crystal, which can be used as a raw material for organic synthesis or as a pharmaceutical intermediate.