Basic information
- CAS
101094-85-3- Standard SMILES
Clc1nnc(Cc2ccncc2)c2ccccc12- InChIKey
LVSFOJFCLFTXTO-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3
- Average molar mass
- 255.7 g/mol
- Monoisotopic mass
- 255.056325
Names & identifiers
- Preferred name
- 1-Chloro-4-(4-pyridinylmethyl)phthalazine
- IUPAC
- 1-chloro-4-(pyridin-4-ylmethyl)phthalazine
- English name
- 1-CHLORO-4-(4-PYRIDINYLMETHYL)PHTHALAZINE
- Molecular formula
- C14H10ClN3
- Molecular weight
- 255.7
Names & synonyms
1-Chloro-4-(4-pyridinylmethyl)phthalazine101094-85-3DTXSID30365694RefChem:229448DTXCID003167341-chloro-4-(pyridin-4-ylmethyl)phthalazine1-chloro-4-(4-pyridylmethyl)phthalazineOprea1_341665SCHEMBL905518SCHEMBL30773496LVSFOJFCLFTXTO-UHFFFAOYSA-NSBB101640
Show more names
1-Chloro-4-pyridin-4-yl-phthalazinePhthalazine, 1-chloro-4-(4-pyridinylmethyl)-1-CHLORO-4-(4-PYRIDINYLMETHYL)PHTHALAZINE, 95+%
AKOS0049112441-chloro-4-(4pyridylmethyl)phthalazine4-chloro-1-(4-pyridylmethyl)phthalazine1 -chloro-4-(4-pyridylmethyl)phthalazine1-chloro-4-(4-pyridyl-methyl)phthalazine1-chloro-4-(4-pyridyl-methyl)-phthalazineDB-0014841-Chloro-4-[(pyridin-4-yl)methyl]phthalazine
Database identifiers
- CAS
101094-85-3- PubChem CID
- 1944609
- DTXSID
DTXSID30365694
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 170 °C · 170 °C(Solv: ethanol (64-17-5))
- Boiling point
- 498.6 · 498.6±35.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.36 · 5.36±0.10(Predicted)
Chemistry & industry
Applications
UsesIntermediate in the preparation of Vatalanib.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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上海百韧生物科技有限公司13564638271 · [email protected]
兰州安杰利生物化学科技有限公司
Related reactions
108 records
Compound notes
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