Basic information
- CAS
18583-89-6- Standard SMILES
COC(=O)c1cccc(N)c1C- InChIKey
ZOOQFAUFPWXUMI-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 3-Amino-2-methylbenzoic acid methyl ester
- IUPAC
- methyl 3-amino-2-methylbenzoate
- English name
- Methyl 3-amino-2-methylbenzoate
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
3-Amino-2-methylbenzoic Acid Methyl EsterRefChem:497056629-093-1Methyl 3-amino-2-methylbenzoate18583-89-63-Amino-o-toluic Acid Methyl EsterMFCD00211328Benzoic acid, 3-amino-2-methyl-, methyl ester18593-89-0methyl 2-methyl-3-aminobenzoatemethyl-3-amino-2-methylbenzoatemethyl 2-methyl-3-aminoben-zoate
Show more names
AKOS BB-31003-Amino-2-MethylbenzoateMETHYL 3-AMINO-O-TOLUATELenalidomide Impurity 273-aminotoluene methyl esterMETHYL 2-METHYL-3-AMINO BENZOATEMethyl 3-Amino-2-melthyl benzoateMethyl 3-amino-2-methylbenzoate 96%
SY014708Z308867796benzoic acid, 3-amino-2-methyl-, methyl ester, hydrochlorideMethyl 3-amino-2-methyl-benzoate2-Methyl-3-(methoxycarbonyl)aniline; 3-Amino-2-methylbenzoic Acid Methyl Ester; Methyl 2-methyl-3-aminobenzoateLenalidomide Impurity 14Lenalidomide Impurity 98A4110
Database identifiers
- CAS
18583-89-6- PubChem CID
- 3801025
- DTXSID
DTXSID20396614- EC Number
- 629-093-1
- Nikkaji
- J82.772J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 300 °C · 300 °C (lit.)
- Density
- 1.146 g/mL · 1.146 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.573(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Liquid
- pka
- 3.31 · 3.31±0.10(Predicted)
- color
- Colorless to brown
- InChI
- 1S/C9H11NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,10H2,1-2H3
- InChIKey
- ZOOQFAUFPWXUMI-UHFFFAOYSA-N
- SMILES
- COC(=O)c1cccc(N)c1C
- CAS DataBase Reference
- 18583 · 18583-89-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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 (97.7%): 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 43 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 CategoriesSkin Irrit. 2 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2922498590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 3-Amino-2-methylbenzoate can be used in petroleum recovery process.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
39 records
Compound notes
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