Basic information
- CAS
933-76-6- Standard SMILES
Cn1ncc(Cl)c(Cl)c1=O- InChIKey
ACKBTCUMGAHRIE-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2O
- Average molar mass
- 179 g/mol
- Monoisotopic mass
- 177.97006811
Overview
4,5-Dichloro-2-methyl-3(2H)-pyridazinone is a pyridazinone.
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
- IUPAC
- 4,5-dichloro-2-methylpyridazin-3-one
- English name
- 4,5-Dichloro-2-methylpyridazin-3-one
- Molecular formula
- C5H4Cl2N2O
- Molecular weight
- 179
Names & synonyms
933-76-64,5-Dichloro-2-methyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-BRN 0127609DTXSID802393765-24-02-00023 (Beilstein Handbook Reference)RefChem:484774DTXCID00161867628-178-04,5-dichloro-2-methylpyridazin-3(2h)-one4,5-Dichloro-2-methylpyridazin-3-oneMFCD00051686
Show more names
AKOS B029262Emorfazone int4,5-dichloro-2-methylpyridazine-3-one5-Dichloro-2-Methyl-3(2H)-pyridazinone5-Dichloro-2-methylpyridazin-3(2H)-one4,5-dichloro-2-methyl-3(2h)-pyridazinon
4,5-DICHLORO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE4,5-Dichloro-2-methyl-2H-pyridazin-3-one2-Methyl-4,5-dichloro-3-pyridazinone4,5-dichloro-2-methyl-2-hydropyridazin-3-one2-Methyl-4,5-dichloro-3(2H)-pyridazinon; 4,5-Dichloro-2-methyl-2H-pyridazin-3-one4,5-dichloro-2-methyl-pyridazin-3-oneA1ENESCHEMBL979278
Database identifiers
- CAS
933-76-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 87 · 87-91 °C(lit.)
- Boiling point
- 197.2 · 197.2±50.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Ethanol
- form
- powder to crystal
- pka
- -3.57 · -3.57±0.20(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
- InChIKey
- ACKBTCUMGAHRIE-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)N=CC(Cl)=C1Cl
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H317-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- UR6188000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339980
- risk_code
- 22-36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H317-H319-H335
Chemistry & industry
Applications
Uses4,5-Dichloro-2-methyl-3(2H)-pyridazinone can be used in the synthesis of 4-amino-3(2H)-pyridazinones and 5-amino-3(2H)-pyridazinones via reaction with N-benzylaminoethanol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
20 records
Compound notes
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