| Identification | More | [Name]
4-Bromo-2-methylbenzoic acid | [CAS]
68837-59-2 | [Synonyms]
2-METHYL-4-BROMOBENZOIC ACID
4-BROMO-2-METHYLBENZOIC ACID
RARECHEM AL BO 0455
4-Bromo-o-toluic acid
4-Bromo-2-Methylbenzoic Acid 2-Methyl-4-Bromobenzoic Acid
4-Bromo-2-methylbenzoic acid, 98+% | [EINECS(EC#)]
272-437-7 | [Molecular Formula]
C8H7BrO2 | [MDL Number]
MFCD00040905 | [Molecular Weight]
215.04 | [MOL File]
68837-59-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to brown crystal powde | [Melting point ]
180-184 °C | [Boiling point ]
310.1±30.0 °C(Predicted) | [density ]
1.599±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.63±0.25(Predicted) | [color ]
White to Almost white | [Water Solubility ]
Insoluble in water. | [Detection Methods]
HPLC,NMR | [BRN ]
2249816 | [InChI]
InChI=1S/C8H7BrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11) | [InChIKey]
RVCJOGNLYVNRDN-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(Br)C=C1C | [CAS DataBase Reference]
68837-59-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to brown crystal powde | [Uses]
A building block which is used in preparation of anthranilic acids possessing antibacterial activity. | [References]
[1] Shyama Sidique. “Orally Active Metabotropic Glutamate Subtype 2 Receptor Positive Allosteric Modulators: Structure–Activity Relationships and Assessment in a Rat Model of Nicotine Dependence.” Journal of Medicinal Chemistry 55 22 (2012): 9434–9445.
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