Basic information
- CAS
943541-20-6- Standard SMILES
Cn1cc(-c2ccc(Cl)nn2)cn1- InChIKey
LIRXMNGKIROHGY-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0359239
Names & identifiers
- Preferred name
- 3-Chloro-6-(1-methyl-1H-pyrazol-4-yl)pyridazine
- IUPAC
- 3-chloro-6-(1-methylpyrazol-4-yl)pyridazine
- English name
- 3-chloro-6-(1-methyl-1H-pyrazol-4-yl)pyridazine
- Molecular formula
- C8H7ClN4
- Molecular weight
- 194.62
Names & synonyms
3-Chloro-6-(1-methyl-1H-pyrazol-4-yl)pyridazine943541-20-6DTXSID90712423RefChem:278444DTXCID506631693-chloro-6-(1-methylpyrazol-4-yl)pyridazineMFCD161091663-Chloro-6-(1-methyl-4-pyrazolyl)pyridazineSCHEMBL509162Pyridazine, 3-chloro-6-(1-methyl-1H-pyrazol-4-yl)-SCHEMBL29520095LIRXMNGKIROHGY-UHFFFAOYSA-N
Show more names
3-chloro-6-(1-methyl-1H-pyrazol-4-yl)pyridazine ISO 9001：2015 REACH
CS-B1038TMB54120AKOS011063777DS-4236DA-00466SY116190EN300-91412F234474
Database identifiers
- CAS
943541-20-6- PubChem CID
- 54595607
- DTXSID
DTXSID90712423
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 424.1 · 424.1±35.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.12 · 0.12±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers34 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司
Related reactions
29 records
Compound notes
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