Basic information
- CAS
41381-36-6- Standard SMILES
Cc1ccc(C)c(Br)c1C- InChIKey
RPEKBTJJOCWRNP-UHFFFAOYSA-N- Molecular formula
- C9H11Br
- Average molar mass
- 199.09 g/mol
- Monoisotopic mass
- 198.00441
Names & identifiers
- Preferred name
- 2-Bromo-1,3,4-trimethylbenzene
- IUPAC
- 2-bromo-1,3,4-trimethylbenzene
- English name
- Benzene, 2-bromo-1,3,4-trimethyl-
- Molecular formula
- C9H11Br
- Molecular weight
- 199.09
Names & synonyms
2-bromo-1,3,4-trimethylbenzene41381-36-6DTXSID90306104RefChem:256723DTXCID40257233Brompseudocumol2-bromo-1,3,4-trimethyl-benzeneNSC174097SCHEMBL10679301SCHEMBL10753626NSC-174097DS-013004
Show more names
Benzene, 2-bromo-1,3,4-trimethyl-
Database identifiers
- CAS
41381-36-6- PubChem CID
- 300038
- DTXSID
DTXSID90306104
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 226 · 226-230 °C
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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