7-Bromo-2,1-benzothiazole
Basic information
- CAS
24246-14-8- Standard SMILES
Brc1cccc2csnc12- InChIKey
VRYOBBCFDBTBLB-UHFFFAOYSA-N- Molecular formula
- C7H4BrNS
- Average molar mass
- 214.08 g/mol
- Monoisotopic mass
- 212.92478
Names & identifiers
- Preferred name
- 7-Bromo-2,1-benzothiazole
- IUPAC
- 7-bromo-2,1-benzothiazole
- English name
- 7-Bromo-benzo[c]isothiazole
- Molecular formula
- C7H4BrNS
- Molecular weight
- 214.08
Names & synonyms
24246-14-87-Bromo-2,1-benzothiazoleDTXSID90614650RefChem:310365DTXCID80565405888-021-97-Bromo-benzo[c]isothiazole7-Bromobenzo[c]isothiazoleMFCD13176691SY378693H81985EN300-7547505
Show more names
2,1-Benzisothiazole, 7-bromo-
Database identifiers
- CAS
24246-14-8- PubChem CID
- 21486280
- DTXSID
DTXSID90614650- EC Number
- 888-021-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 284.7 · 284.7±13.0 °C(Predicted)
- Density
- 1.748 · 1.748±0.06 g/cm3(Predicted)
- pka
- 1.49 · 1.49±0.37(Predicted)
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%)
Suppliers
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Related reactions
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Compound notes
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