Basic information
- CAS
42156-92-3- Standard SMILES
O=C(O)c1cccc2ccc3ccccc3c12- InChIKey
HHZVGTSZLAQRSM-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Overview
Phenanthrene-4-carboxylate is a member of phenanthrenes.
Names & identifiers
- Preferred name
- Phenanthrene-4-carboxylic acid
- IUPAC
- phenanthrene-4-carboxylic acid
- English name
- 4-Phenanthrenecarboxylic acid)
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
Phenanthrene-4-carboxylic acidRefChem:526277621-764-74-Phenanthrenecarboxylic acid42156-92-3Phenanthrene-4-carboxylate4-Phenanthroic acid4-PhenanthrenecarboxylicacidSCHEMBL2157267SCHEMBL23698265CHEBI:81604DTXSID10194989
Show more names
4-Phenanthrenecarboxylic acid)1,4-Phenanthrenecarboxylicacid
HHZVGTSZLAQRSM-UHFFFAOYSA-NNSC141339AKOS024334235(4-PHENANTHRENECARBOXYLIC ACID)NSC 141339NSC-141339DS-005489C18253
Database identifiers
- CAS
42156-92-3- PubChem CID
- 181727
- DTXSID
DTXSID10194989- ChEBI
CHEBI:81604- EC Number
- 621-764-7
- Nikkaji
- J89.450H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 170 · 170-171 °C
- Boiling point
- 467.5 · 467.5±14.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 3.49 · 3.49±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Additional notes
DefinitionChEBI: Phenanthrene-4-carboxylate is a member of phenanthrenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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