Basic information
- Standard SMILES
O=C(O)c1ccc2cc(O)ccc2c1- InChIKey
KAUQJMHLAFIZDU-UHFFFAOYSA-N- Molecular formula
- C11H8O3
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.04734411
Names & identifiers
- Preferred name
- 6-Hydroxy-2-naphthoic acid
- IUPAC
- 6-hydroxynaphthalene-2-carboxylic acid
- English name
- 6-Hydroxy-2-naphthoic acid
- Molecular formula
- C11H8O3
- Molecular weight
- 188.18
Names & synonyms
6-Hydroxy-2-naphthoic acid16712-64-42-Naphthalenecarboxylic acid, 6-hydroxy-6-Hydroxy-2-naphthalenecarboxylic acid6-Carboxy-2-naphthol2-Naphthoic acid, 6-hydroxy-2-Hydroxynaphthalene-6-carboxylic acid6-Hydroxy-beta-naphthoic acidNSC 148862DTXSID3029312EINECS 240-759-7NSC 689433
Show more names
6-HYDROXY-2-NAPTHOIC ACIDJACS-16712-64-4RARECHEM AL BO 0976TIMTEC-BB SBB0085946-hydroxy-2-naphthoicaci6-Hydroxy-2-phthoic acid6-HYDROXY-2-NAPHTOICACIDNaphthoic Acid Impurity 10
72XA858I6PNSC-148862NSC-6894332-Napthalenecarboxylic acid, 6-hydroxy-DTXCID609312EC 240-759-7HYDROXY-2-NAPHTHOIC ACID, 6-RefChem:543375
Database identifiers
- CAS
16712-64-4- PubChem CID
- 85557
- DTXSID
DTXSID3029312- ChEMBL
CHEMBL278950- ChEBI
CHEBI:193581- UNII
- 72XA858I6P
- EC Number
- 240-759-7
- Nikkaji
- J167.279G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Physical DescriptionDry Powder; CBI
Physicochemical properties
- Melting point
- 240 · 240-250 °C (lit.)
- Boiling point
- 283.17 °C · 283.17°C (rough estimate)
- Density
- 1.21 · 1.2100 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Insoluble in water
- form
- Powder
- pka
- 4.34 · 4.34±0.30(Predicted)
- color
- Pale brown
- Water Solubility
- 99 mg/L · 99mg/L at 20℃
- BRN
- 2692084 · 2692084
- InChI
- 1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
- InChIKey
- KAUQJMHLAFIZDU-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc2cc(O)ccc2c1
- LogP
- 2.1 · 2.1
- CAS DataBase Reference
- 16712 · 16712-64-4(CAS DataBase Reference)
- FDA UNII
- 72 XA858I6P · 72XA858I6P
- EPA Substance Registry System
- 6 · 6-Hydroxy-2-naphthoic acid (16712-64-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26-24/25
- WGK Germany
- 3 · 3
- RTECS
- 3722500 · QN3722500
- TSCA
- TSCA listed
- HS Code
- 29181990 · 29181990
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 50 · rat,LD50,oral,3080mg/kg (3080mg/kg),PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVEGASTROINTESTINAL: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0534748,
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (8 of 131) of reports.
Danger
H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (85.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (87%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 8 of 131 reports by companies.；There are 7 notifications provided by 123 of 131 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731
Hazard Classes and CategoriesAcute Tox. 4 (87.8%)；Eye Dam. 1 (87%)；STOT SE 3 (85.5%)；Aquatic Chronic 3 (87%)
Regulatory information
Regulatory Information
2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QN3722500
- hs_code
- 29181990
- Toxicity
- rat,LD50,oral,3080mg/kg (3080mg/kg),PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVEGASTROINTESTINAL: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0534748,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 2,500,000 - <4,000,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 1,000,000 - <2,500,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Plastics Material and Resin Manufacturing
2-Naphthalenecarboxylic acid, 6-hydroxy-: ACTIVE
Applications
Uses6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material.
Uses6-Hydroxy-2-naphthoic acid may be used in the synthesis of 5-bromo-6-hydroxy-2-naphthoic acid and liquid-crystalline epoxy resins.
General Description6-Hydroxy-2-naphthoic acid is a hydroxynaphthoic acid derivative. Whole cells of the recombinant Escherichia coli strain expressing CYP199A2 were reported to catalyze the regioselective oxidation of 6-hydroxy-2-naphthoic acid to afford 6,7-dihydroxynaphthoic acid. It can form co-crystals with caffeine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: 6-Hydroxy-2-naphthoic acid is a naphthoic acid.
Related reactions
126 records
Linked notes
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