Anthranilic acid, 3-hydroxy-, methyl ester

HCID 205248

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Basic information

CAS: 17672-21-8
Standard SMILES: COC(=O)c1cccc(O)c1N
InChIKey: GDIJXOCHGFQHCT-UHFFFAOYSA-N
Molecular formula: C8H9NO3
Average molar mass: 167.16 g/mol
Monoisotopic mass: 167.05824315

Names & identifiers

Preferred name: Anthranilic acid, 3-hydroxy-, methyl ester
IUPAC: methyl 2-amino-3-hydroxybenzoate
English name: Methyl 2-amino-3-hydroxybenzoate
Molecular formula: C8H9NO3
Molecular weight: 167.16

Names & synonyms

Methyl 3-hydroxyanthranilatebenzoic acid, 2-amino-3-hydroxy-, methyl esterAnthranilic acid, 3-hydroxy-, methyl esterBRN 2830430DTXSID201701784-14-00-02072 (Beilstein Handbook Reference)RefChem:319773DTXCID0092669Benzoic acid, 2-amino-3-hydroxy-, methyl ester (9CI)InChI=1/C8H9NO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,9H2,1HMethyl 2-amino-3-hydroxybenzoate17672-21-8

Show more names

Methyl 2-amino-3-hydroxybenzoate 98%2-amino-3-hydroxy-Benzoic acid methyl ester (9CI ACI)Benzoic acid, 2-amino-3-hydroxy-, methyl ester (9CI, ACI)

MFCD016752332-Amino-3-hydroxy-benzoic acid methyl esterMethyl2-Amino-3-hydroxybenzoate2-amino-3-hydroxybenzoic acid methyl ester2-Amino-3-hydroxybenzoic Acid Methyl Ester; Methyl 2-Amino-3-hydroxybenzoate; 3-Hydroxyanthranilic Acid Methyl Ester; 2-Amino-3-hydroxybenzoic Acid Methyl EsterSCHEMBL148358CHEMBL5564926SCHEMBL31038441

Database identifiers

CAS: 17672-21-8
PubChem CID: 205248
DTXSID: DTXSID20170178
ChEMBL: CHEMBL5564926
Nikkaji: J60.476C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 97 · 97-99℃
Boiling point: 310 ℃ · 310℃
Density: 1.305 · 1.305
refractive index: 1.557 · 1.5570 (estimate)
Flash point: 141 ℃ · 141℃
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2916399090 · 2916399090

Safety & regulation

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313