Basic information
- CAS
101-60-0- Standard SMILES
C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3- InChIKey
JZRYQZJSTWVBBD-UHFFFAOYSA-N- Molecular formula
- C20H14N4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.12184646
Overview
Porphyrin is a member of porphyrins and a tetrapyrrole fundamental parent. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Porphyrin
- IUPAC
- 21,22-dihydroporphyrin
- English name
- Porphine
- Molecular formula
- C20H14N4
- Molecular weight
- 310.35
Names & synonyms
PorphinePorphyrin21H,23H-Porphine101-60-021H,23H-Porphin21,22-dihydroporphyrinpentaporphyrin i604BGD9J5BhydroporphyrinUNII-604BGD9J5Ba porphyrinporphyrin-
Show more names
porphinPORPHYNE21H,23H-Porphyrin21H, 23H-PORPHINE21,22-dihydroporphinePORPHINE ISO 9001：2015 REACHTIANFU CHEM 101-60-0 PORPHINE
delta-isoboldine23h-porphyrinEINECS 202-958-7PORPHINE [MI]SCHEMBL15809SCHEMBL611755SCHEMBL669537SCHEMBL669538
Database identifiers
- CAS
101-60-0- PubChem CID
- 66868
- DTXSID
DTXSID201046762- ChEBI
CHEBI:8337- UNII
- 604BGD9J5B
- Nikkaji
- J1.226.702I、J2.541.638D、J9.336J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 360 °C · 360°C
- Boiling point
- 440.52 °C · 440.52°C (rough estimate)
- Density
- 1.336 · 1.3360
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- 20 °C · −20°C
- pka
- 4.8 · 4.8
- ex/em
- 491 · λex 491, 396 nm; λem 683, 617 nm in toluene
- Henry's Law Constant
- 3.9 · 3.9×105 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- FDA UNII
- 604 BGD9J5B · 604BGD9J5B
- EPA Substance Registry System
- 21 H,23H-Porphine · 21H,23H-Porphine (101-60-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionPorphine (also called porphin) is a planar aromatic heterocyclic compound with a 12-carbon outside ring and four embedded pyrrole rings. It is a dark red crystalline solid that is soluble in some polar solvents such as pyridine and dioxane. It can be heated to 360 ºC without melting. Porphine is the parent compound of a family of biologically and chemically relevant compounds called porphyrins. The potential of these compounds is enormous and it would be advantageous to use the porphine (porphyrin) unit as a building block for the synthesis of diverse porphyrin complexes with a wide range of applications.
HistoryPorphine was first prepared by German chemists Hans Fischer and Wilhelm Gleim in 1935. It is the parent structure of a large family of natural compounds called porphyrins, many of which are essential to life. Fischer was a 1930 Nobel Prize winner for his research on two porphyrins, heme (a constituent of hemoglobin) and chlorophyll. These porphyrins, like many others, contain a metal atom coordinated to the four nitrogen atoms.
UsesPorphine (Porphyrin), the parent of porphyrins, plays an important role within the organism[1].
Upstream & downstream products
Upstream raw materials
Suppliers25 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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