Basic information
- CAS
1517038-47-9- Standard SMILES
Cc1nsc2cc(Br)ccc12- InChIKey
FFYLYYLLEGTSGQ-UHFFFAOYSA-N- Molecular formula
- C8H6BrNS
- Average molar mass
- 228.11 g/mol
- Monoisotopic mass
- 226.94043
Names & identifiers
- Preferred name
- 6-Bromo-3-methyl-1,2-benzothiazole
- IUPAC
- 6-bromo-3-methyl-1,2-benzothiazole
- English name
- 6-bromo-3-methylbenzo[d]isothiazole
- Molecular formula
- C8H6BrNS
- Molecular weight
- 228.11
Names & synonyms
1517038-47-96-bromo-3-methyl-1,2-benzothiazoleRefChem:540924849-580-46-Bromo-3-methylbenzo[d]isothiazoleMFCD31801525SCHEMBL13202665SY360685WS-02667DB-085670E72372EN300-6811268
Show more names
6-Bromo-3-methyl-1,2-benzisothiazole1,2-Benzisothiazole, 6-bromo-3-methyl-
Z2733281973
Database identifiers
- CAS
1517038-47-9- PubChem CID
- 58817543
- EC Number
- 849-580-4
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
- Boiling point
- 228.9 · 228.9±22.0 °C(Predicted)
- Density
- 1.644 · 1.644±0.06 g/cm3(Predicted)
- pka
- 4.81 · 4.81±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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