Basic information
- CAS
241488-81-3- Standard SMILES
Cc1cc(C=O)c(C)n1-c1ccc(I)cc1- InChIKey
SSNYMKCLPCTDEB-UHFFFAOYSA-N- Molecular formula
- C13H12INO
- Average molar mass
- 325.14 g/mol
- Monoisotopic mass
- 324.99636
Names & identifiers
- Preferred name
- 1-(4-Iodophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
- IUPAC
- 1-(4-iodophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
- English name
- 1-(4-IODO-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
- Molecular formula
- C13H12INO
- Molecular weight
- 325.14
Names & synonyms
241488-81-31-(4-iodophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehydeDTXSID60351500RefChem:225250DTXCID503025661-(4-iodophenyl)-2,5-dimethylpyrrole-3-carbaldehyde1-(4-Iodo-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carbaldehydeMFCD01009399OSM-A-12RJA48881BBL023185
Show more names
1H-Pyrrole-3-carboxaldehyde, 1-(4-iodophenyl)-2,5-dimethyl-
STK711037AKOS000115397SB63686VS-07345ST4052563CS-0218459EN300-01040F70157
Database identifiers
- CAS
241488-81-3- PubChem CID
- 701909
- DTXSID
DTXSID60351500
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 398.7 · 398.7±42.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- -6.04 · -6.04±0.70(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
Suppliers2 total
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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