| Identification | More | [Name]
4-AMINO-3-BROMOBENZOIC ACID | [CAS]
6311-37-1 | [Synonyms]
CL228
NSC43549
BUTTPARK 35\03-06
RARECHEM AL BO 1227
4-Amino-3-Bromobenzoic
4-AMINO-3-BROMOBENZIOC ACID
4-AMINO-3-BROMOBENZOIC ACID
4-azanyl-3-bromo-benzoic acid
Benzoic acid, 4-amino-3-bromo-
4-Amino-3-bromobenzoic acid 97%
4-Amino-3-bromobenzoic Acid >
4-AMINO-3-BROMOBENZOIC ACID USP/EP/BP
4-AMINO-3-BROMOBENZOIC ACID, 98.0%+(T) | [Molecular Formula]
C7H6BrNO2 | [MDL Number]
MFCD03407439 | [Molecular Weight]
216.03 | [MOL File]
6311-37-1.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powder | [Melting point ]
211-215 °C | [Boiling point ]
368.5±32.0 °C(Predicted) | [density ]
1.793±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder to crystal | [pka]
4.47±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
InChI=1S/C7H6BrNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11) | [InChIKey]
BFIVZIVVJNFTIQ-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(N)C(Br)=C1 | [CAS DataBase Reference]
6311-37-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36:Irritating to the eyes.
R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
Ⅲ | [HS Code ]
29224999 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystal powder | [reaction suitability]
reaction type: solution phase peptide synthesis | [Synthesis]
General procedure for the synthesis of 3-bromo-4-aminobenzoic acid from 4-aminobenzoic acid: 4-aminobenzoic acid (100 mmol) was dissolved in N,N-dimethylformamide (DMF, 50 mL), followed by the addition of N-bromosuccinimide (NBS, 100 mmol). The reaction mixture was stirred at room temperature for 18 hours. Upon completion of the reaction, the mixture was poured into water (100 mL) and a solid was precipitated. The product was collected by filtration, washed with water and dried under vacuum to afford the target compound 4-amino-3-bromobenzoic acid in 70% yield. The structure of the product was confirmed by 1H NMR (D6-DMSO): δ 6.10 (s, 2H), 6.78 (d, 1H), 7.63 (dd, 1H), 7.89 (d, 1H), 12.39 (br s, 1H). | [References]
[1] Russian Journal of Applied Chemistry, 2009, vol. 82, # 9, p. 1570 - 1576
[2] Journal of the American Chemical Society, 2010, vol. 132, # 6, p. 1734 - 1735
[3] Tetrahedron Letters, 2009, vol. 50, # 9, p. 1007 - 1009
[4] Journal of the Brazilian Chemical Society, 2010, vol. 21, # 3, p. 496 - 501
[5] Tetrahedron Letters, 2000, vol. 41, # 13, p. 2083 - 2085 |
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