Basic information
- CAS
3853-91-6- Standard SMILES
Cc1c(C)c(C)c(I)c(C)c1C- InChIKey
UXHBVYKGPRUHKM-UHFFFAOYSA-N- Molecular formula
- C11H15I
- Average molar mass
- 274.14 g/mol
- Monoisotopic mass
- 274.02185
Names & identifiers
- Preferred name
- Pentamethyliodobenzene
- IUPAC
- 1-iodo-2,3,4,5,6-pentamethylbenzene
- English name
- Pentamethyliodobenzene
- Molecular formula
- C11H15I
- Molecular weight
- 274.14
Names & synonyms
Pentamethyliodobenzene1-iodo-2,3,4,5,6-pentamethylbenzene3853-91-6IodopentamethylbenzeneMFCD00015446EINECS 223-360-2CDS1_000476Benzene, iodopentamethyl-Maybridge1_002764DivK1c_001516SCHEMBL4179651HMS549F14
Show more names
iodonpentylbenzenePentamethyliodobenzene>PENTAMETHYLIODOBENZENE ≥97.0%Benzene, 1-iodo-2,3,4,5,6-pentamethyl-
DTXSID40191860AKOS016846216AS-76287PENTAMETHYLIODOBENZENE >/=97.0%SY0418151-iodanyl-2,3,4,5,6-pentamethyl-benzeneDB-049301CS-0358184
Database identifiers
- CAS
3853-91-6- PubChem CID
- 77461
- DTXSID
DTXSID40191860- EC Number
- 223-360-2
- Nikkaji
- J208.888F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 135 · 135-137°C
- Boiling point
- 297.9 · 297.9±9.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 3853 · 3853-91-6(CAS DataBase Reference)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers46 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]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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