Basic information
- CAS
2305-36-4- Standard SMILES
Cc1ccc(C(=O)O)c(N)c1- InChIKey
RPGKFFKUTVJVPY-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Overview
2-Amino-4-methylbenzoic acid is an aminobenzoic acid.
Names & identifiers
- Preferred name
- 4-Methylanthranilic acid
- IUPAC
- 2-amino-4-methylbenzoic acid
- English name
- 2-Amino-4-methylbenzoic acid
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
4-Methylanthranilic acidEINECS 218-976-3NSC 39155DTXSID30177613RefChem:525515DTXCID90100104218-976-32-Amino-4-methylbenzoic acid2305-36-4Benzoic acid, 2-amino-4-methyl-2-Amino-p-toluic AcidMFCD00047853
Show more names
2-amino-4-methyl-RARECHEM AL BO 08202-Amino-4-methylbenzoicaci2-Amino-4-methylbenzoic Acid >Benzoic acid, 2-amino-4-methyl- (9CI)2-AMino-4-Methylbenzoic acid, 98%, 98%
2-amino-4-methyl-benzoic acid2-Azanyl-4-Methyl-Benzoic Acid2-Carboxy-5-methylanilinep-Toluic acid, 2-amino-2-Amino-4-methylbenzoicacid2-Amino-4-methyl benzoic acid2-Amino-4-methylbenzoic acid #CHEBI:194602
Database identifiers
- CAS
2305-36-4- PubChem CID
- 75316
- DTXSID
DTXSID30177613- ChEMBL
CHEMBL3934153- ChEBI
CHEBI:194602
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 329.8 · 329.8±30.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 5.11 · 5.11±0.10(Predicted)
- color
- Off-White to Light Brown
- InChI
- InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
- InChIKey
- RPGKFFKUTVJVPY-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(C)C=C1N
- CAS DataBase Reference
- 2305 · 2305-36-4(CAS DataBase Reference)
- FDA UNII
- 2 WD667BJ5T · 2WD667BJ5T
- NIST Chemistry Reference
- 2 · P-toluic acid, 2-amino-(2305-36-4)
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (16.7%): 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 6 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 (16.7%)
Safety data
- hs_code
- 29224999
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses2-Amino-4-methylbenzoic Acid performs a herbicidal function in Agriculture. A plant growth-regulator.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
32 records
Compound notes
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