4-Bromo-3-phenyl-1,2-thiazole
Basic information
- CAS
16187-94-3- Standard SMILES
Brc1csnc1-c1ccccc1- InChIKey
CAKMTNUERSGKHB-UHFFFAOYSA-N- Molecular formula
- C9H6BrNS
- Average molar mass
- 240.12 g/mol
- Monoisotopic mass
- 238.94043
Names & identifiers
- Preferred name
- 4-Bromo-3-phenyl-1,2-thiazole
- IUPAC
- 4-bromo-3-phenyl-1,2-thiazole
- English name
- 4-Bromo-3-phenylisothiazole
- Molecular formula
- C9H6BrNS
- Molecular weight
- 240.12
Names & synonyms
4-bromo-3-phenyl-1,2-thiazoleRefChem:520024967-882-54-Bromo-3-phenylisothiazole16187-94-3Isothiazole, 4-bromo-3-phenyl-4-Bromo-3-phenylisothiazole #SCHEMBL9216769SCHEMBL28013350DTXSID00347043CAKMTNUERSGKHB-UHFFFAOYSA-NEN300-1587409
Show more names
4-broMo-3-phenylisothiazol-5-aMine
Database identifiers
- CAS
16187-94-3- PubChem CID
- 617458
- DTXSID
DTXSID00347043- EC Number
- 967-882-5
- Nikkaji
- J99.831A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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