Basic information
- CAS
106362-66-7- Standard SMILES
Cc1cc(O)c(I)cc1C- InChIKey
QMBMPXRWVSHTCN-UHFFFAOYSA-N- Molecular formula
- C8H9IO
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 247.96981291
Names & identifiers
- Preferred name
- 2-Iodo-4,5-dimethylphenol
- IUPAC
- 2-iodo-4,5-dimethylphenol
- English name
- 4,5-Dimethyl-2-iodophenol
- Molecular formula
- C8H9IO
- Molecular weight
- 248.06
Names & synonyms
2-iodo-4,5-dimethylphenol106362-66-7DTXSID80545545RefChem:262182DTXCID60496329Phenol,2-iodo-4,5-dimethyl-4,5-DIMETHYL-2-IODOPHENOL6-iodo-3,4-dimethylphenolSCHEMBL3892350QMBMPXRWVSHTCN-UHFFFAOYSA-NMFCD07779033DB-423457
Show more names
H76655
Database identifiers
- CAS
106362-66-7- PubChem CID
- 13635257
- DTXSID
DTXSID80545545
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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