2-Amino-5-methylbenzoic acid
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Basic information
- CAS
2941-78-8- Standard SMILES
Cc1ccc(N)c(C(=O)O)c1- InChIKey
NBUUUJWWOARGNW-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 2-Amino-5-methylbenzoic acid
- IUPAC
- 2-amino-5-methylbenzoic acid
- English name
- 2-Amino-5-methylbenzoic acid
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
2-Amino-5-methylbenzoic acid2941-78-8Benzoic acid, 2-amino-5-methyl-6-Amino-m-toluic acidm-Toluic acid, 6-amino-2-Carboxy-4-methylaniline5-methyl-2-aminobenzoic acid418XAJ22V2EINECS 220-932-3DTXSID40183629NSC-39154NSC-50786
Show more names
Fluralaner-0322-Amino-5-methyLBUTTPARK 41\07-016-Amino-m-toluylsureCetilistat Impurity 6OTAVA-BB BB7719100016
NSC 39154NSC 50786RefChem:464639DTXCID30106120InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,115-Methylanthranilic acidMFCD000079092-amino-5-methyl-benzoic acid
Database identifiers
- CAS
2941-78-8- PubChem CID
- 76255
- DTXSID
DTXSID40183629- UNII
- 418XAJ22V2
- EC Number
- 220-932-3
- Nikkaji
- J80.595E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- 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
- 175 °C · 175 °C (dec.) (lit.)
- Boiling point
- 273.17 °C · 273.17°C (rough estimate)
- Density
- 1.2023 · 1.2023 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Powder
- pka
- 2.27 · 2.27±0.10(Predicted)
- color
- Off-white to beige
- BRN
- 1101527 · 1101527
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
- InChIKey
- NBUUUJWWOARGNW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(C)=CC=C1N
- CAS DataBase Reference
- 2941 · 2941-78-8(CAS DataBase Reference)
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 (100%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Uses2-Amino-5-methylbenzoic acid can be used to synthesize quinazolinedione.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
102 records
Compound notes
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