Basic information
- Standard SMILES
O=C(O)c1cccc2ccccc12- InChIKey
LNETULKMXZVUST-UHFFFAOYSA-N- Molecular formula
- C11H8O2
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.05242949
Names & identifiers
- Preferred name
- 1-Naphthoic acid
- IUPAC
- naphthalene-1-carboxylic acid
- English name
- 1-Naphthoic acid
- Molecular formula
- C11H8O2
- Molecular weight
- 172.18
Names & synonyms
1-NAPHTHOIC ACID86-55-51-Naphthalenecarboxylic acidnaphthalene-1-carboxylic acidalpha-Naphthoic acid1-Carboxynaphthalene2NIV4O66BHCHEBI:36466NSC-37569DTXSID50861668RefChem:76530DTXCID90810559
Show more names
NSC 375691-naphthoic1-phthoic acid1-Naphthoesure1-NAPTHOIC ACID1-Naphtoic Acida-naphthoic acid
201-681-9NAPHTHOIC ACIDNaphthalenecarboxylic acid1320-04-3alpha-Naphthylcarboxylic acidMFCD00004007.alpha.-Naphthoic acidNaphthalene-alpha-carboxylic acid
Database identifiers
- CAS
1320-04-3、86-55-5- PubChem CID
- 6847
- DTXSID
DTXSID50861668- ChEMBL
CHEMBL1160- ChEBI
CHEBI:36466- UNII
- 2NIV4O66BH
- EC Number
- 201-681-9
- Nikkaji
- J10.616J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 157 · 157-160 °C (lit.)
- Boiling point
- 300 °C · 300 °C (lit.)
- Density
- 1.398 · 1.398
- refractive index
- 1.46 · 1.4600 (estimate)
- Flash point
- 195 °C · 195°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Slightly soluble in hot water; freely soluble in hot ethanol, ether
- form
- Powder
- pka
- 3.7 · 3.7(at 25℃)
- color
- Slightly yellow to brown
- Specific Gravity
- 1.398 · 1.398
- PH Range
- Non& uorescence (2.5) to blue & uorescence (3.5)
- Water Solubility
- Freely soluble in hot alcohol and ether. Slightly soluble in hot water.
- λmax
- 293 nm · 293nm
- Merck
- 14 · 14,6381
- BRN
- 1908896 · 1908896
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- Major Application
- Photoresists, recording materials, waveguides, battery, ink, rubber, plastic films, agriculture, cosmetics, Sunscreen, method for preserving food, drugs, biosensors
- InChI
- 1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
- InChIKey
- LNETULKMXZVUST-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cccc2ccccc12
- CAS DataBase Reference
- 86 · 86-55-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 NIV4O66BH · 2NIV4O66BH
- NIST Chemistry Reference
- 1 · 1-Naphthalenecarboxylic acid(86-55-5)
- EPA Substance Registry System
- 1 · 1-Naphthalenecarboxylic acid (86-55-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H303-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25-37
- WGK Germany
- 2 · 2
- RTECS
- 960000 · QL0960000
- TSCA
- TSCA listed
- HS Code
- 29163900 · 29163900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QL0960000
- hs_code
- 29163900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H303-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Naphthoic acid is used as an intermediate for the synthesis of pharmaceuticals, photochemicals, plant growth hormones, dyes and other organic compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: 1-naphthoic acid is a naphthoic acid carrying a carboxy group at position 1. It has a role as a fungal xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 1-naphthoate.
Related reactions
124 records
Linked notes
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