Basic information
- CAS
112146-10-8- Standard SMILES
Cc1nc2c(Br)cccc2s1- InChIKey
MTCUHGRDTIORBI-UHFFFAOYSA-N- Molecular formula
- C8H6BrNS
- Average molar mass
- 228.11 g/mol
- Monoisotopic mass
- 226.94043
Names & identifiers
- Preferred name
- 4-Bromo-2-methylbenzo[d]thiazole
- IUPAC
- 4-bromo-2-methyl-1,3-benzothiazole
- English name
- 4-Bromo-2-methylbenzothiazole
- Molecular formula
- C8H6BrNS
- Molecular weight
- 228.11
Names & synonyms
4-Bromo-2-methylbenzo[d]thiazole112146-10-84-BROMO-2-METHYLBENZOTHIAZOLE4-bromo-2-methyl-1,3-benzothiazoleMFCD11217352Benzothiazole, 4-bromo-2-methyl-SCHEMBL13479872DTXSID10673047AKOS016003430AC-25119DS-17035SY105910
Show more names
CS-0005532C71400F224142
Database identifiers
- CAS
112146-10-8- PubChem CID
- 46190857
- DTXSID
DTXSID10673047
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 299.1 · 299.1±13.0 °C(Predicted)
- Density
- 1.644 · 1.644±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.15 · -0.15±0.10(Predicted)
- Appearance
- Colorless to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-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-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers45 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
武汉爱瑞克科技有限公司027- 51832457 94518350
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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