Basic information
- CAS
1114563-58-4- Standard SMILES
Cc1cc(Cl)nn(C)c1=O- InChIKey
BOVMTTYMJWYEIV-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O
- Average molar mass
- 158.58 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-2,4-dimethylpyridazin-3(2H)-one
- IUPAC
- 6-chloro-2,4-dimethylpyridazin-3-one
- English name
- 6-Chloro-2,4-dimethylpyridazin-3(2H)-one
- Molecular formula
- C6H7ClN2O
- Molecular weight
- 158.59
Names & synonyms
6-Chloro-2,4-dimethylpyridazin-3(2H)-one1114563-58-4MFCD279236296-chloro-2,4-dimethyl-2,3-dihydropyridazin-3-one6-chloro-2,4-dimethylpyridazin-3-oneSCHEMBL958691BOVMTTYMJWYEIV-UHFFFAOYSA-NAKOS0221783326-chloro-2,4-dimethyl-pyridazin-3-oneBS-14419SY4206046-Chloro-2,4-dimethyl-3(2h)-pyridazinone
Show more names
DB-1970086-Chloro-2,4-dimethyl-2H-pyridazin-3-oneCS-01531413(2H)-Pyridazinone, 6-chloro-2,4-dimethyl-D82759F689735
Database identifiers
- CAS
1114563-58-4- PubChem CID
- 59845973
- EC Number
- 188-255-5
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 232
Physicochemical properties
- Boiling point
- 222.7 · 222.7±23.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.69 · -0.69±0.70(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州启航生物科技有限公司18151111370
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
Related reactions
10 records
Compound notes
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