Thiazolium, 2,4-dimethyl-3-(phenylmethyl)-, bromide (1:1)
Basic information
- CAS
17091-45-1- Standard SMILES
Cc1csc(C)[n+]1Cc1ccccc1.[Br-]- InChIKey
QUQOMXILDQSQPN-UHFFFAOYSA-M- Molecular formula
- C12H14BrNS
- Average molar mass
- 284.22 g/mol
- Monoisotopic mass
- 283.00303
Names & identifiers
- Preferred name
- Thiazolium, 2,4-dimethyl-3-(phenylmethyl)-, bromide (1:1)
- IUPAC
- 3-benzyl-2,4-dimethyl-1,3-thiazol-3-ium bromide
- English name
- 2,4-DIMETHYL-3-BENZYL-THIAZOLIUM BROMIDE
- Molecular formula
- C12H14BrNS
- Molecular weight
- 284.22
Names & synonyms
17091-45-1Thiazolium, 2,4-dimethyl-3-(phenylmethyl)-, bromideThiazolium, 2,4-dimethyl-3-(phenylmethyl)-, bromide (1:1)DTXSID10884959RefChem:189297DTXCID5010243753-benzyl-2,4-dimethyl-1,3-thiazol-3-ium bromide3-benzyl-2,4-dimethyl-1,3-thiazol-3-ium;bromideQUQOMXILDQSQPN-UHFFFAOYSA-MMFCD000441693-Benzyl-2,4-dimethylthiazol-3-ium bromide3-benzyl-2,4-dimethyl-thiazol-3-ium;bromide
Show more names
2,4-DIMETHYL-3-BENZYL-THIAZOLIUM BROMIDE
Database identifiers
- CAS
17091-45-1- PubChem CID
- 86948
- DTXSID
DTXSID10884959
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 171 °C · 171 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
- EPA Substance Registry System
- 2 · Thiazolium, 2,4-dimethyl-3-(phenylmethyl)-, bromide (17091-45-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiazolium, 2,4-dimethyl-3-(phenylmethyl)-, bromide (1:1): INACTIVE
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Related reactions
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Compound notes
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