Basic information
- CAS
6705-03-9- Standard SMILES
COc1ccc(N)c(C(=O)O)c1- InChIKey
UMKSAURFQFUULT-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Overview
2-Amino-5-methoxybenzoic acid is a methoxybenzoic acid.
Names & identifiers
- Preferred name
- 5-Methoxyanthranilic acid
- IUPAC
- 2-amino-5-methoxybenzoic acid
- English name
- 2-Amino-5-methoxybenzoic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
5-Methoxyanthranilic acidRefChem:4646292-Amino-5-methoxybenzoic acid6705-03-92-Amino-5-methoxybenzoicacidBenzoic acid, 2-amino-5-methoxy-2-amino-5-methoxy-benzoic acidMFCD00016509SCHEMBL2211412-amino-5-methoxy benzoic acid2-Amino-5-methoxybenzoic acid #NSC126996
Show more names
2-AMino-5-Methoxyben2-Amino-5-MethoxybenzoicMefenamic Acid Impurity 21Anthranilic acid, 5-methoxy-5-Methoxyanththranillic Acid2-AMINO-5-METHOXYLBENZOIC ACID2-Amino-5-MethoxybenzoicAcid98%2-azanyl-5-methoxy-benzoic acid
2-Amino-5-methoxybenzoic acid, 97%AKOS005145853CS-W009211NSC-126996EN300-1058395-methoxy anthranilic acid3-Methoxy-6-aminobenzoic acidSCHEMBL29380973
Database identifiers
- CAS
6705-03-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 148 · 148-152 °C
- Boiling point
- 349.9 · 349.9±27.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 2.08 · 2.08±0.10(Predicted)
- color
- White to yellow to pale orange
- BRN
- 777690 · 777690
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C8H9NO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
- InChIKey
- UMKSAURFQFUULT-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(OC)=CC=C1N
- CAS DataBase Reference
- 6705 · 6705-03-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 5 · 5-Methoxyanthranilic acid(6705-03-9)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29225090
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses2-Amino-5-methoxybenzoic acid is a general reagent used in the synthesis of substituted isoquinolinonaphthyridines, quinazolinones, imidazobenzodiazepines, pyridoquinazolones and polycyclic hexahydrobenzo[c]acridines.
Uses2-Amino-5-methoxybenzoic Acid is used in the synthesis of quinazolinone class of histamine H3 receptor inverse agonists. It is also used in the synthesis of Alogliptin, a selective inhibitor of the s erine protease dipeptidyl peptidase IV.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
67 records
Compound notes
Loading…