Basic information
- CAS
36798-98-8- Standard SMILES
O=C(Cl)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
WIUVDRZGTJXTCE-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2NOS
- Average molar mass
- 296.2 g/mol
- Monoisotopic mass
- 294.9625404
Names & identifiers
- Preferred name
- 2-Chloro-10H-phenothiazine-10-carbonyl chloride
- IUPAC
- 2-chlorophenothiazine-10-carbonyl chloride
- English name
- 2-chloro-10H-phenothiazine-10-carbonyl chloride
- Molecular formula
- C13H7Cl2NOS
- Molecular weight
- 296.17
Names & synonyms
2-Chloro-10H-phenothiazine-10-carbonyl chloride36798-98-82-chlorophenothiazine-10-carbonyl chlorideEINECS 253-220-6SCHEMBL4452339DTXSID50190263WIUVDRZGTJXTCE-UHFFFAOYSA-NLBA7989810-(chlorocarbonyl)-2-chlorophenothiazineNS00030098EN300-753974910H-Phenothiazine-10-carbonyl chloride, 2-chloro-
Show more names
2-Chloro-10H-phenothiazine-10-carboxylic acid chloride
Database identifiers
- CAS
36798-98-8- PubChem CID
- 3015867
- DTXSID
DTXSID50190263- EC Number
- 253-220-6
- Nikkaji
- J332.361G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 100 · 100-101 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 459.1 · 459.1±45.0 °C(Predicted)
- Density
- 1.521 · 1.521±0.06 g/cm3(Predicted)
- pka
- -6.12 · -6.12±0.20(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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