Basic information
- CAS
1590-22-3- Standard SMILES
O=C(O)CCC(=O)c1ccc2ccccc2c1- InChIKey
GZKLCZIMSAHQDR-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 4-(Naphthalen-2-yl)-4-oxobutanoic acid
- IUPAC
- 4-naphthalen-2-yl-4-oxobutanoic acid
- English name
- 4-(2-NAPHTHYL)-4-OXOBUTANOICACID
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
4-(naphthalen-2-yl)-4-oxobutanoic acidRefChem:516520621-427-41590-22-34-(2-Naphthyl)-4-oxobutanoic acid4-(2-Naphthyl)-4-oxobutyric acid4-naphthalen-2-yl-4-oxobutanoic acid4-(2-Naphthyl)-4-oxobutanoicacidMFCD000901433-(2-NAPHTHOYL)PROPIONIC ACIDCHEMBL44434204-(2-naphthyl)-4-oxo-butanoic acid
Show more names
γ-Oxo-2-naphthalenebutanoic acidγ-Oxo-2-naphthalenebutanoic acid2-Naphthalenebutanoic acid, γ-oxo-2-Naphthalenebutanoic acid, g-oxo-GAMMA-OXO-2-NAPHTHALENEBUTYRIC ACIDgaMMa-oxo-2-naphthalenebutanoic acid
NSC20812-Naphthalenebutanoic acid, |A-oxo-2-Naphthalenebutanoic acid, gamma-oxo-Oprea1_349989IFLab1_000804SCHEMBL35273983-[2-Naphtholyl]propionic acidSCHEMBL29435966
Database identifiers
- CAS
1590-22-3- PubChem CID
- 220004
- DTXSID
DTXSID90277380
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 459.6 · 459.6±28.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform, DCM
- form
- Solid
- pka
- 4.53 · 4.53±0.17(Predicted)
- color
- Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-(2-Naphthoyl)propionic Acid is an intermediate in the synthesis of 4-Phenanthrol (P295015), a metabolite of Phenanthrene.
Upstream & downstream products
Downstream products
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
8 records
Compound notes
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