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4-Bromo-3-methylbenzoic acid

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Name

4-Bromo-3-methylbenzoic acid

EINECS 231-713-7
CAS No. 7697-28-1 Density 1.599 g/cm3
PSA 37.30000 LogP 2.45570
Solubility N/A Melting Point 212-216 °C(lit.)
Formula C8H7BrO2 Boiling Point 311.4 °C at 760 mmHg
Molecular Weight 215.046 Flash Point 142.1 °C
Transport Information N/A Appearance White or reddish crystal powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7697-28-1 (4-Bromo-3-methylbenzoic acid) Hazard Symbols IrritantXi
Synonyms

m-Toluicacid, 4-bromo- (6CI,8CI);Benzoicacid, 4-bromo-3-methyl-;4-Bromo-3-methylbenzoicacid;3-Methyl-4-bromobenzoic acid;

Article Data 19

4-Bromo-3-methylbenzoic acid Synthetic route

2486-70-6

4-amino 3-methylbenzoic acid

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
Stage #1: 4-amino 3-methylbenzoic acid With hydrogen bromide In water at 25℃; for 1h;
Stage #2: With sodium nitrate In water at -2 - -1℃; for 1.75h;
Stage #3: With hydrogen bromide; copper(I) bromide In water at -2 - 70℃; for 2h;
90%
Diazotization.Kochen der Diazoverbindung mit Bromwasserstoffsaeure;
With hydrogen bromide; sodium nitrite; copper(I) chloride In water
84797-77-3

4,4'-dibromo-5,3'-dimethyl-2-nitrodiphenylmethane

A

7697-28-1

4-bromo-3-methylbenzoic acid

B

93099-47-9

6-bromo-5-methyl-3-(4'-bromo-3'-methylphenyl)-2,1-isoxazole

C

84658-94-6

3,6-dibromo-2,7-dimethylacridone

Conditions
ConditionsYield
With sulfuric acid In ethanol for 5h; Irradiation;A 63%
B 20%
C 6%
With sulfuric acid In ethanol for 5h; Product distribution; Mechanism; Irradiation;A 51%
B 20%
C 6%
146308-26-1

4-bromo-3-methyl-N-(2-methyl-4-cyanophenyl)benzamide

A

7697-28-1

4-bromo-3-methylbenzoic acid

B

78881-21-7

4-amino-3-methylbenzonitrile

Conditions
ConditionsYield
With potassium hydroxide In ethanol a) 70 deg C, 4.5 h, b) 80 deg C, 3 h; Yields of byproduct given;A 63%
B n/a
With potassium hydroxide In ethanol a) 70 deg C, 4.5 h, b) 80 deg C, 3 h; Yield given;A 63%
B n/a
583-70-0

1-bromo-2,4-dimethylbenzene

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
With nitric acid60%
With nitric acid for 24h; Heating / reflux;60%
With nitric acid at 150℃;
With nitric acid
109-72-8, 29786-93-4

n-butyllithium

615-59-8

1,4-dibromo-2-methylbenzene

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
With diethyl ether Aufgiessen des Reaktionsgemisches auf festes Kohlendioxid;
615-59-8

1,4-dibromo-2-methylbenzene

A

5156-01-4

2-methylterephthalic acid

B

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
With n-butyllithium; Petroleum ether anschliessendes Behandeln mit festem Kohlendioxid;
92243-75-9

1-bromo-4-isopropyl-2-methyl-benzene

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
With nitric acid
37074-40-1

1-(4-bromo-3-methylphenyl)ethan-1-one

A

6939-93-1

4-bromo-isophthalic acid

B

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
With potassium permanganate
With alkaline potassium permanganate
99-04-7

m-Toluic acid

A

7697-28-1

4-bromo-3-methylbenzoic acid

B

6967-82-4

2-bromo-5-methylbenzoic acid

Conditions
ConditionsYield
With bromine
6933-10-4

amino-5-bromo-2-toluene

544-92-3

copper(I) cyanide

7697-28-1

4-bromo-3-methylbenzoic acid

Conditions
ConditionsYield
(i) NaNO2, aq. HCl, (ii) /BRN= 3587244/, (iii) NaOH, EtOH; Multistep reaction;

4-Bromo-3-methylbenzoic acid Chemical Properties

Molecular Structure:

Molecular Formula: C8H7BrO2
Molecular Weight: 215.044
IUPAC Name: 4-Bromo-3-methylbenzoic acid
Synonyms of 3-Methyl-4-bromobenzoic acid (CAS NO.7697-28-1): EINECS 231-713-7 ; 4-Bromo-3-methylbenzoic acid
CAS NO: 7697-28-1
Product Categories: blocks ; Bromides ; Carboxes ; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts ; Benzoic acid ; Organic acids ; Acids & Esters ; Bromine Compounds ; C8 ; Carbonyl Compounds ; Carboxylic Acids
Melting Point: 212-216 °C 
Index of Refraction: 1.595
Molar Refractivity: 45.69 cm3
Molar Volume: 134.4 cm3
Surface Tension: 50 dyne/cm
Density: 1.599 g/cm3
Flash Point: 142.1 °C
Enthalpy of Vaporization: 58.31 kJ/mol
Boiling Point: 311.4 °C at 760 mmHg
Vapour Pressure: 0.000243 mmHg at 25°C

4-Bromo-3-methylbenzoic acid Uses

 3-Methyl-4-bromobenzoic acid (CAS NO.7697-28-1) is used as a pharmaceutical intermediate.

4-Bromo-3-methylbenzoic acid Safety Profile

Safety Information of 3-Methyl-4-bromobenzoic acid (CAS NO.7697-28-1):
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin  
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing    
WGK Germany:3
Hazard Note:Irritant

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