Basic information
- CAS
114895-17-9- Standard SMILES
CC(C)(C)c1cc(Br)c(Br)c(Br)c1- InChIKey
LUZDLMOAMLFWLZ-UHFFFAOYSA-N- Molecular formula
- C10H11Br3
- Average molar mass
- 370.91 g/mol
Names & identifiers
- Preferred name
- 1,2,3-Tribromo-5-(tert-butyl)benzene
- IUPAC
- 1,2,3-tribromo-5-tert-butylbenzene
- English name
- Benzene, 1,2,3-tribromo-5-(1,1-dimethylethyl)-
- Molecular formula
- C10H11Br3
- Molecular weight
- 370.91
Names & synonyms
1,2,3-Tribromo-5-(tert-butyl)benzene114895-17-9MFCD33403885C10H11Br3SCHEMBL222253061,2,3-Tribromo-5-tert-Butylbenzene1,2,3-tribromo-5-tert-butyl-benzeneCS-0190830E96653Benzene, 1,2,3-tribromo-5-(1,1-dimethylethyl)-
Database identifiers
- CAS
114895-17-9
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 82 · 82-83 °C(Solv: ethanol (64-17-5))
- Boiling point
- 310.7 · 310.7±37.0 °C(Predicted)
- Density
- 1.812 · 1.812±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
成都科莱海德医药科技有限公司18482172240 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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