4-Chloro-2-methylbenzo[d]thiazole
Basic information
- CAS
4146-23-0- Standard SMILES
Cc1nc2c(Cl)cccc2s1- InChIKey
WVODSIBUYCZFCU-UHFFFAOYSA-N- Molecular formula
- C8H6ClNS
- Average molar mass
- 183.66 g/mol
- Monoisotopic mass
- 182.9909481
Names & identifiers
- Preferred name
- 4-Chloro-2-methylbenzo[d]thiazole
- IUPAC
- 4-chloro-2-methyl-1,3-benzothiazole
- English name
- Benzothiazole, 4-chloro-2-methyl- (6CI,7CI,8CI,9CI)
- Molecular formula
- C8H6ClNS
- Molecular weight
- 183.66
Names & synonyms
4-Chloro-2-methylbenzo[d]thiazole4146-23-04-chloro-2-methyl-1,3-benzothiazole4-CHLORO-2-METHYLBENZOTHIAZOLEBenzothiazole, 4-chloro-2-methyl- (6CI,7CI,8CI,9CI)Benzothiazole, 4-chloro-2-methyl-SCHEMBL2615997DTXSID20396114WVODSIBUYCZFCU-UHFFFAOYSA-NAKOS006273745MB01603AS-92740
Show more names
DB-332147CS-0282422F83508EN300-1613365F226864
Database identifiers
- CAS
4146-23-0- PubChem CID
- 3765784
- DTXSID
DTXSID20396114
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 52 · 52-53 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 276.8 · 276.8±13.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -0.15 · -0.15±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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