2-BROMO-5-METHYLBENZOIC ACID
-
2-BROMO-5-METHYLBENZOIC ACID
structure -
-
CAS No:
6967-82-4
-
Formula:
C8H7BrO2
-
Chemical Name:
2-BROMO-5-METHYLBENZOIC ACID
-
Synonyms:
4-Bromo-3-carboxytoluene, 6-Bromo-m-toluic acid;2-BroMo-5-Methylbenzoic Acid, 97+%;2-Bromo-5-methylbenzoicacid,98%;2-BROMO-5-METHYLBENZOIC ACID;NSC20686;Benzoic acid,2-bromo-5-methyl-
- Categories:
-
CAS No:
Characteristics
37.3
3.3
white powder
1.6±0.1 g/cm3
139-141°C
311.6ºC at 760 mmHg
142.3±24.6 °C
1.595
Room temperature.
Safety Information
IRRITANT
UN 2811 6.1 / PGIII
3
36/37/38-22
26-36/37/39-37
Xi,Xn
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (82.98%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-BROMO-5-METHYLBENZOIC ACID Use and Manufacturing
CuSO4·5H2O (2.82 g, 11.3 mmol), NaBr(2.31 g, 22.4 mmol), and Cu turnings (1.50 g, 23.6 mmol) were boiled in 15 mL 47percent-HBruntil the solution was colorless. 5-Methylanthranilic acid (5.00 g, 33.1 mmol) wasdissolved in 11.3 mL 47percent aq HBr and 28 mL H2O under heating. This solution was addedat 100C to the CuBr solution. The reaction mixture was kept at 90–95 C and NaNO2(4.53 g, 65.7 mmol) in 25 mL H2O was slowly added under stirring. The precipitating acidwas filtered off with suction, washed with 10percent aq HBr and re-precipitated from an alkalinesolution with conc. HCl. The crude acid was 3× recrystallized from H2O by use of charcoalto yield 4.00 g (18.6 mmol, 56percent) white crystals, m. p. 137–139C (lit.10: 137.6–139C).IR: ν = 2923, 1703 (C O), 1590, 1436, 1302, 1260, 1215, 1031, 922, 817. 1H NMR: δ= 2.36 (s, 3H, CH3), 7.19 (dd, 1H, J = 2.5/8.1 Hz, 4-H), 7.57 (d, 1H, J = 8.1 Hz, 3-H), 7.81 (d, 1H, J = 2.0 Hz, 6-H). 13CNMR: δ = 20.74 (CH3), 119.18, 130.04 (Cq, ar), 133.01, 134.45, 134.61 (CHar), 137.42 (Cq, ar), 171.51 (C O).MS: m/z (percent) = 216 (93) [M]+, 214(100) [M]+, 199 (58) [M – OH]+, 197 (56) [M – OH]+, 171 (29) [M – CO2H]+, 169 (36)[M – CO2H]+, 135 (55) [M – Br]+, 91 (48) [C7H7]+, 90 (68), 89 (64), 77 (37), 63 (40).C8H7BrO2 (215.05): calcd. C 44.68, H 3.28, Br 37.16; found C 44.67, H 3.26, Br 37.01.
Computed Properties
Molecular Weight:215.04
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-BROMO-5-METHYLBENZOIC ACID
-
![China]()
CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives -
![China]()
CN
5 YRS
Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 6967-82-4Grade: Industrial GradeContent: 99%
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8