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| CAS No.: | 79669-49-1 |
|---|---|
| Name: | 5-Bromo-2-methylbenzoic acid |
| Article Data: | 26 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7BrO2 |
| Molecular Weight: | 215.046 |
| Synonyms: | 5-Bromo-2-methyl-benzoic acid;o-Toluicacid, 5-bromo- (6CI,7CI);5-Bromo-o-toluic acid;NSC 403996; |
| EINECS: | 628-605-0 |
| Density: | 1.599 g/cm3 |
| Melting Point: | 170 °C |
| Boiling Point: | 319.4 °C at 760 mmHg |
| Flash Point: | 147 °C |
| Appearance: | white or reddish powder |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| Transport Information: | 79669-49-1 |
| PSA: | 37.30000 |
| LogP: | 2.45570 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 118-90-1
ortho-methylbenzoic acid
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sulfuric acid | 88% |
| Stage #1: ortho-methylbenzoic acid With bromine; iron at 20℃; for 2h; Stage #2: With hydrogenchloride In methanol; water at 20℃; | 19% |
| With bromine by/at 167 degree melting substance; |
- 54811-38-0
5-iodo-2-methylbenzoic acid
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; bromine; iron Concentration; Solvent; Molecular sieve; | 85% |
- 156001-51-3
3-Bromo-6-methyl-benzonitrile
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid at 160 - 170℃; |
- 119-32-4
4-Methyl-3-nitroanilin
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| durch Austausch von NH2 gegen Br, Reduktion des Produkts zu 4-Brom-2-amino-toluol und Austausch von NH2 gegen CO2H; by/at 167 degree melting substance; |
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With pyridine; potassium permanganate |
- 118-90-1
ortho-methylbenzoic acid
- 7732-18-5
water
- 7726-95-6
bromine
A
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| at 140℃; |
| Conditions | Yield |
|---|---|
| Behandlung mit CO2; |
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate by/at 174-176 degree melting substance; |
- 79669-49-1
5-bromo-2-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With nitric acid by/at 174-176 degree melting substance; |
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Specification
The 5-Bromo-2-methylbenzoic acid, with the CAS registry number 79669-49-1, is also known as NSC403996. It belongs to the product categories of Aromatic Nitriles; Carboxylic Acids; Phenyls & Phenyl-Het; Organic Acids; Acids & Esters; Bromine Compounds; Carboxylic Acids; Phenyls & Phenyl-Het; C8; Carbonyl Compounds. This chemical's molecular formula is C8H7BrO2 and molecular weight is 215.04398. Its IUPAC name is called 5-bromo-2-methylbenzoic acid.
Physical properties of 5-Bromo-2-methylbenzoic acid: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 1.17; (3)ACD/LogD (pH 7.4): 0.09; (4)ACD/BCF (pH 5.5): 1.53; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.76; (7)ACD/KOC (pH 7.4): 1.05; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 45.69 cm3; (13)Molar Volume: 134.4 cm3; (14)Surface Tension: 50 dyne/cm; (15)Density: 1.599 g/cm3; (16)Flash Point: 147 °C; (17)Enthalpy of Vaporization: 59.23 kJ/mol; (18)Boiling Point: 319.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000141 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)Br)C(=O)O
(2)InChI: InChI=1S/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: SEENCYZQHCUTSB-UHFFFAOYSA-N