Sodium 3-hydroxy-7-methoxynaphthalene-2-carboxylate
Basic information
- CAS
347860-33-7- Standard SMILES
COc1ccc2cc(O)c(C(=O)[O-])cc2c1.[Na+]- InChIKey
GXFJTZLJEJRYEB-UHFFFAOYSA-M- Molecular formula
- C12H9NaO4
- Average molar mass
- 240.19 g/mol
- Monoisotopic mass
- 240.03985305
Names & identifiers
- Preferred name
- Sodium 3-hydroxy-7-methoxynaphthalene-2-carboxylate
- IUPAC
- sodium 3-hydroxy-7-methoxynaphthalene-2-carboxylate
- English name
- 3-Hydroxy-7-methoxy-2-naphthoic acid sodium salt
- Molecular formula
- C12H9NaO4
- Molecular weight
- 240.19
Names & synonyms
347860-33-7Sodium 3-hydroxy-7-methoxynaphthalene-2-carboxylateDTXSID60635776RefChem:380667DTXCID10586527Sodium 3-hydroxy-7-methoxy-2-naphthoatesodium;3-hydroxy-7-methoxynaphthalene-2-carboxylate3-hydroxy-7-methoxynaphthalene-2-carboxylic acid, sodium saltSCHEMBL5346655SBB058252AKOS024307503AKOS025116978
Show more names
LABOTEST-BB LT008474143-Hydroxy-7-methoxy-2-naphthoic acid sodium saltsodium:3-hydroxy-7-methoxynaphthalene-2-carboxylate
Sodium3-hydroxy-7-methoxy-2-naphthoateST50320035
Database identifiers
- CAS
347860-33-7- PubChem CID
- 23712136
- DTXSID
DTXSID60635776- EC Number
- 693-459-7
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- InChI
- 1S/C12H10O4.Na/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9;/h2-6,13H,1H3,(H,14,15);/q;+1/p-1
- InChIKey
- GXFJTZLJEJRYEB-UHFFFAOYSA-M
- SMILES
- [Na+].COc1ccc2cc(O)c(cc2c1)C([O-])=O
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H332
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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