Basic information
- Standard SMILES
O=c1[nH]ncc(Cl)c1Cl- InChIKey
VJWXIRQLLGYIDI-UHFFFAOYSA-N- Molecular formula
- C4H2Cl2N2O
- Average molar mass
- 164.97 g/mol
- Monoisotopic mass
- 163.95441804
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,5-Dichloro-3-hydroxypyridazine
- IUPAC
- 4,5-dichloro-1H-pyridazin-6-one
- English name
- 4,5-Dichloro-3(2H)-pyridazinone
- Molecular formula
- C4H2Cl2N2O
- Molecular weight
- 164.98
Names & synonyms
4,5-Dichloro-3-hydroxypyridazineRefChem:484773932-22-94,5-Dichloro-3(2H)-pyridazinone4,5-Dichloropyridazin-3(2H)-one4,5-dichloro-1H-pyridazin-6-one3(2H)-Pyridazinone, 4,5-dichloro-4,5-dichloropyridazin-3-ol4,5-dichloro-2H-pyridazin-3-one4,5-dichloro-2,3-dihydropyridazin-3-one4,5-Dichloro-pyridazin-3-olMFCD00051504
Show more names
NSC 16127NSC 17182NSC 240022AKOS B029197AURORA KA-447TIMTEC-BB SBB003910OTAVA-BB BB0128630031
4,5-dichloro-6-pyridazone4,5-Dichloro-3-pyridazinolDichlorhydroxypyridazin4,5-dichloropyridazinone8FQ8PU4SSS4,5-dichloro-3-pyridazoneNSC16127NSC17182
Database identifiers
- CAS
932-22-9- PubChem CID
- 73247
- DTXSID
DTXSID90239322- ChEMBL
CHEMBL168980- UNII
- 8FQ8PU4SSS
- EC Number
- 629-394-8
- Nikkaji
- J213.710K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 204 · 204-206 °C(lit.)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.39 · 8.39±0.60(Predicted)
- form
- Crystalline Powder
- color
- White to yellow
- BRN
- 120959 · 120959
- InChI
- InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)
- InChIKey
- VJWXIRQLLGYIDI-UHFFFAOYSA-N
- SMILES
- C1(=O)NN=CC(Cl)=C1Cl
- CAS DataBase Reference
- 932 · 932-22-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 FQ8PU4SSS · 8FQ8PU4SSS
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 6182000 · UR6182000
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (85.4%): 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 48 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (85.4%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- UR6182000
- hs_code
- 29349990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H302-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4,5-Dichloro-3(2H)-pyridazinone is used as a new labelled substituted pyridazinone with tuberculostatic action.
General DescriptionThe solid phase FT-IR and FT-Raman spectra of 4,5-dichloro-3-hydroxypyridazine was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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