Basic information
- CAS
89-35-0- Standard SMILES
O=C(O)c1cc2cccc(O)c2cc1O- InChIKey
YELLAPKUWRTITI-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 3,5-Dihydroxy-2-naphthoic acid
- IUPAC
- 3,5-dihydroxynaphthalene-2-carboxylic acid
- English name
- 3,5-DIHYDROXY-2-NAPHTHOIC ACID
- Molecular formula
- C11H8O4
- Molecular weight
- 204.18
Names & synonyms
3,5-Dihydroxy-2-naphthoic acid89-35-03,5-Dihydroxy-2-naphthalenecarboxylic AcidEINECS 201-900-8NSC 50694DTXSID00237470RefChem:486866DTXCID00159961201-900-83,5-dihydroxynaphthalene-2-carboxylic acidUBP5512,8-Dihydroxy-3-naphthoic acid
Show more names
UBP551,UBP-551UBP551, 10 mM in DMSOLABOTEST-BB LT004529553 5-DIHYDROXY-2-NAPHTHOIC ACID 95%2,8-DIOXYNAPHTHALENE-3-CARBOXYLIC ACID
2-Naphthalenecarboxylic acid, 3,5-dihydroxy-2-Naphthoic acid, 3,5-dihydroxy-1,7-Dihydroxy-6-naphthoic acid3,5-Dihydroxy-2-carboxynaphthaleneMFCD000039823,5-Dihydroxynapthalene-2-carboxylic Acid1,7-Dihydroxy-6-naphthalenecarboxylic acidRCB7DWP5NB
Database identifiers
- CAS
89-35-0- PubChem CID
- 66637
- DTXSID
DTXSID00237470- ChEMBL
CHEMBL2010868- UNII
- RCB7DWP5NB
- EC Number
- 201-900-8
- Nikkaji
- J182.063J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 275 · 275-280 °C (lit.)
- Boiling point
- 442.2 · 442.2±35.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.95 · 2.95±0.30(Predicted)
- color
- Yellow to Dark Yellow
- BRN
- 3287771 · 3287771
- InChI
- 1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)
- InChIKey
- YELLAPKUWRTITI-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc2cccc(O)c2cc1O
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 (97.5%): 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 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2918199890
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1STOT SE 3
- Precautionary statements
- P301+P312+P330-P305+P351+P338
Chemistry & industry
Applications
Uses3,5-Dihydroxynapthalene-2-carboxylic Acid is used as a negative or positive NMDA receptor inhibitor, via allosteric control. NMDA receptors regulate CHN (central nervous system) functions. Also used as a protein tyrosine phosphatase inhibitor due to the benzofuran-like moiety in the substructure.
Uses3,5-Dihydroxy-2-naphthoic Acid is used as a negative or positive NMDA receptor inhibitor, via allosteric control. NMDA receptors regulate CHN (central nervous system) functions.It is also used as a protein tyrosine phosphatase inhibitor due to the benzofuran-like moiety in the substructure.
Upstream & downstream products
Downstream products
Suppliers57 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Aladdin Scientific[email protected]
Related reactions
5 records
Compound notes
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