6-Chloro-2-phenyl-1,3-benzothiazole
Basic information
- CAS
7466-32-2- Standard SMILES
Clc1ccc2nc(-c3ccccc3)sc2c1- InChIKey
KULZCMVYWXLXLC-UHFFFAOYSA-N- Molecular formula
- C13H8ClNS
- Average molar mass
- 245.73 g/mol
- Monoisotopic mass
- 245.0065981
Names & identifiers
- Preferred name
- 6-Chloro-2-phenyl-1,3-benzothiazole
- IUPAC
- 6-chloro-2-phenyl-1,3-benzothiazole
- English name
- Benzothiazole,6-chloro-2-phenyl-
- Molecular formula
- C13H8ClNS
- Molecular weight
- 245.73
Names & synonyms
6-chloro-2-phenyl-1,3-benzothiazole7466-32-2DTXSID90322980RefChem:307867DTXCID702740996-chloro-2-phenylbenzo[d]thiazoleNSC402599chloro-phenyl-benzothiazoleSCHEMBL2136232STL377222AKOS025248647HS-4556
Show more names
6-Chloro-2-phenylbenzothiazoleBenzothiazole,6-chloro-2-phenyl-
NSC-402599H60814AK-830/13217025
Database identifiers
- CAS
7466-32-2- PubChem CID
- 345181
- DTXSID
DTXSID90322980- Nikkaji
- J1.516.166C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 156.7 °C · 156.7 °C
- Boiling point
- 389 · 389.0±34.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 0.16 · 0.16±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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