CAS Number52727-57-8
Synonymsestere metilico dell'acido 5-bromoantranilico; Methyl 2-amino-5-bromobenzoate; Benzoic acid, 2-amino-5-bromo-, methyl ester; Benzoic acid,2-amino-5-bromo-,methyl ester,hydrochloride; MFCD00144761; Methyl-2-amino-5-brombenzolcarboxylat; 2-Amino-5-bromobenzoic Acid Methyl Ester; methyl 2-amino-5-bromo-benzoate; 5-Bromoanthranilic Acid Methyl Ester; Methyl 5-Bromoanthranilate; 5-bromo-2-amino-benzoic acid methyl ester; METHYL2-AMINO-5-BROMOBENZOATE
Molecular FormulaBrC6H3(NH2)CO2CH3
Molecular Weight230.06
Purity96%
Density1.6±0.1 g/cm3
Boiling Point286.3±20.0 °C at 760 mmHg
Melting Point72-74 °C (lit.)
AppearanceWhite to light yellow crystal powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 52727-57-8 |
| Catalog No. | 2A-9008215 |
| Chinese Name | 5-溴代邻氨基苯甲酸甲酯 |
| Synonyms | estere metilico dell'acido 5-bromoantranilico; Methyl 2-amino-5-bromobenzoate; Benzoic acid, 2-amino-5-bromo-, methyl ester; Benzoic acid,2-amino-5-bromo-,methyl ester,hydrochloride; MFCD00144761; Methyl-2-amino-5-brombenzolcarboxylat; 2-Amino-5-bromobenzoic Acid Methyl Ester; methyl 2-amino-5-bromo-benzoate; 5-Bromoanthranilic Acid Methyl Ester; Methyl 5-Bromoanthranilate; 5-bromo-2-amino-benzoic acid methyl ester; METHYL2-AMINO-5-BROMOBENZOATE |
| Molecular Formula | BrC6H3(NH2)CO2CH3 |
| Molecular Weight | 230.06 |
| Purity | 96 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 286.3±20.0 °C at 760 mmHg |
| Melting Point | 72-74 °C (lit.) |
| Appearance | White to light yellow crystal powder |
| Storage Condition | Keep the receptacle sealed, stored in a cool, dry |
| Application | Methyl 2-amino-5-bromobenzoate (compound 8/12) can be used to synthesize 2-benzylaminobenzoic acid, which is a known FabH inhibitor. This derivative also inhibits PqsD, the pqs quorum sensing (QS) sys |
| HTC | 2922499990 |
| PubChem ID | 24877617 |
| MDL Number | MFCD00144761 |
| SMILES | COC(=O)c1cc(Br)ccc1N |
| InChI | 1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3 |
| InChI Key | QVNYNHCNNGKULA-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Risk Codes | 36/37/38 |
| Safety Description | 26-36 |
| MSDS | msds/8215_1_52727_57_8.pdf |
| Bioactivity | Methyl 2-amino-5-bromobenzoate (compound 8/12) can be used for synthesis of 2-benzamidobenzoic acids, which are known FabH inhibitors. The derivates also inhibit PqsD, the pqs quorum sensing (QS) system of Pseudomonas aeruginosa, involving the production of a number of virulence factors and biofilm formation[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. Weidel E, et al. Structure optimization of 2-benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR, STD NMR, and molecular docking. J Med Chem. 2013 Aug 8;56(15):6146-55. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 286.3±20.0 °C at 760 mmHg Melting Point 72-74 °C(lit.) Molecular Formula C8H8BrNO2 Molecular Weight 230.06 Flash Point 126.9±21.8 °C Exact Mass 228.973831 PSA 52.32000 LogP 3.06 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.601 InChIKey QVNYNHCNNGKULA-UHFFFAOYSA-N SMILES COC(=O)c1cc(Br)ccc1N Storage condition Room temperature. |
| Use of | Properties Name methyl 2-amino-5-bromobenzoate Synonym More Synonyms Methyl 2-amino-5-bromobenzoate Biological Activity Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial References [1]. Weidel E, et al. Structure optimization of 2-benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR, STD NMR, and molecular docking. J Med Chem. 2013 Aug 8;56(15):6146-55. Chemical & Physical Properties Molecular Formula C8H8BrNO2 Exact Mass 228.973831 PSA 52.32000 Index of Refraction 1.601 InChIKey QVNYNHCNNGKULA-UHFFFAOYSA-N Storage condition Room temperature. |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | P. Quarantine of entry animals, plants, and animal and plant products Q. Quarantine of exit animals, plants, and animal and plant products R. Hygiene supervision and inspection of imported food S. Hyg |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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