Tetrophan
Basic information
- CAS
83-93-2- Standard SMILES
O=C(O)c1c2c(nc3ccccc13)-c1ccccc1CC2- InChIKey
QWNOQAWEROHNNQ-UHFFFAOYSA-N- Molecular formula
- C18H13NO2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.09462866
Names & identifiers
- Preferred name
- Tetrophan
- IUPAC
- 5,6-dihydrobenzo[c]acridine-7-carboxylic acid
- English name
- 5,6-DIHYDRO-BENZO[C]ACRIDINE-7-CARBOXYLIC ACID
- Molecular formula
- C18H13NO2
- Molecular weight
- 275.3
Names & synonyms
Tetrophan83-93-2TetrofanTetrophineTetraphanBenz(c)acridine-7-carboxylic acid, 5,6-dihydro-5,6-Dihydrobenz(c)acridine-7-carboxylic acid3,4-Dihydro-1,2-benzacridinic-5-carbonic acidBRN 0256492UNII-4U947K73Q24U947K73Q25,6-Dihydrobenz[c]acridine-7-carboxylic acid
Show more names
Benz[c]acridine-7-carboxylic acid, 5,6-dihydro-
DTXSID302321154-22-00-01422 (Beilstein Handbook Reference)RefChem:188947DTXCID30154606QWNOQAWEROHNNQ-UHFFFAOYSA-N5,6-Dihydrobenzo[c]acridine-7-carboxylic acid5,6-Dihydro-benzo[c]acridine-7-carboxylic acidBAS 01280118
Database identifiers
- CAS
83-93-2- PubChem CID
- 120171
- DTXSID
DTXSID30232115- ChEMBL
CHEMBL1492340- UNII
- 4U947K73Q2
- EC Number
- 663-807-2
- Nikkaji
- J4.886K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 250 °C · 250 °C
- Boiling point
- 418.25 °C · 418.25°C (rough estimate)
- Density
- 1.1884 · 1.1884 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- pka
- 0.94 · 0.94±0.20(Predicted)
- FDA UNII
- 4 U947K73Q2 · 4U947K73Q2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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