Basic information
- CAS
57450-62-1- Standard SMILES
CCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCC)cc4)c4ccc([nH]4)c(-c4ccc(OCCCC)cc4)c4ccc([nH]4)c(-c4ccc(OCCCC)cc4)c4nc2C=C4)C=C3)cc1- InChIKey
YKKLTLVFXBUIBT-UHFFFAOYSA-N- Molecular formula
- C60H62N4O4
- Average molar mass
- 903.2 g/mol
- Monoisotopic mass
- 902.47710647
Names & identifiers
- Preferred name
- CID 5149552
- IUPAC
- 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin
- English name
- 5,10,15,20-tetrakis(4-butoxyphenyl)-Porphine
- Molecular formula
- C60H62N4O4
- Molecular weight
- 903.16
Names & synonyms
DTXSID204088025,10,15,20-tetrakis(4-butoxyphenyl)-Porphine21H,23H-Porphine, 5,10,15,20-tetrakis(4-butoxyphenyl)-
Database identifiers
- CAS
57450-62-1- PubChem CID
- 5149552
- DTXSID
DTXSID20408802
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,330
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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