CAS Number66315-16-0
SynonymsBenzoic acid, 3-amino-4-(methylamino)-, methyl ester; Methyl 3-amino-4-(methylamino)benzoate; methyl 3-amino-4--methylaminobenzoate; methyl 4-methylamino-3-aminobenzoate; 3-amino-4-methylamino-benzoic acid methyl ester
Molecular FormulaC9H12N2O2
Molecular Weight180.21
Density1.2±0.1 g/cm3
Boiling Point346.5±32.0 °C at 760 mmHg
Melting Point103-105ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 66315-16-0 |
| Catalog No. | 2A-9093103 |
| Chinese Name | 3-氨基-4-(甲基氨基)苯羧酸甲酯 |
| Synonyms | Benzoic acid, 3-amino-4-(methylamino)-, methyl ester; Methyl 3-amino-4-(methylamino)benzoate; methyl 3-amino-4--methylaminobenzoate; methyl 4-methylamino-3-aminobenzoate; 3-amino-4-methylamino-benzoic acid methyl ester |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.21 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 346.5±32.0 °C at 760 mmHg |
| Melting Point | 103-105ºC |
| Storage Condition | Room temperature, protected from light, stored in |
| HTC | 2922499990 |
| PubChem ID | 39669714 |
| SMILES | CNc1ccc(C(=O)OC)cc1N |
| InChI | InChI=1S/C9H12N2O2/c1-11-8-4-3-6(5-7(8)10)9(12)13-2/h3-5,11H,10H2,1-2H3 |
| InChI Key | UOQRESVEXATCGD-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C9H12N2O2 Molecular weight:180.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information HS Code 2922499990 Synthetic Route Methyl 4-(methy... CAS#:36242-50-9 Methyl 3-amino-... CAS#:66315-16-0 Literature: TEIJIN LIMITED Patent: EP1502916 A1, 2005 ; Location in patent: Page 440 ; EP 1502916 A1 Benzoic acid, 3... CAS#:22907-68-2 Methyl 3-amino-... CAS#:66315-16-0 Literature: US6228868 B1, ; Methyl 4-chloro... CAS#:14719-83-6 Methyl 3-amino-... CAS#:66315-16-0 Literature: Bioorganic and Medicinal Chemistry, , vol. 13, # 5 p. 1587 - 1597 Precursor & DownStream Precursor 5 CAS#:36242-50-9 Methyl 4-(methy... CAS#:22907-68-2 Benzoic acid, 3... CAS#:14719-83-6 Methyl 4-chloro... CAS#:96-99-1 4-Chloro-3-nitr... DownStream 4 CAS#:92473-55-7 Methyl 1-methyl... CAS#:131020-36-5 Methyl 1-methyl... CAS#:80708-33-4 7-chloro-5-prop... CAS#:396652-38-3 Methyl 1-methyl... |
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