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3,4-Dimethylbenzaldehyde

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Name

3,4-Dimethylbenzaldehyde

EINECS 227-770-2
CAS No. 5973-71-7 Density 1.003 g/cm3
PSA 17.07000 LogP 2.11590
Solubility Soluble in ethanol, ether, toluene. Insoluble in water. Melting Point 225-226 °C
Formula C9H10O Boiling Point 225.3 °C at 760 mmHg
Molecular Weight 134.178 Flash Point 97.7 °C
Transport Information N/A Appearance clear colorless to yellowish liquid
Safety 24/25-36/37-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5973-71-7 (3,4-Dimethylbenzaldehyde) Hazard Symbols IrritantXi
Synonyms

Benzaldehyde, 3,4-dimethyl-;

Article Data 63

3,4-Dimethylbenzaldehyde Synthetic route

3,4‐dimethylbenzaldoxime

5973-71-7

3,4-dimethylbenzaldehyde

6966-10-5

3,4-dimethylbenzyl alcohol

5973-71-7

3,4-dimethylbenzaldehyde

Conditions
ConditionsYield
With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In ethanol at 50℃; for 18h;96%
With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(ll) bromide at 80℃; for 20h;96%
With Iron(III) nitrate nonahydrate; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 60℃; for 3h; Schlenk technique; Green chemistry;96%
102-46-5

4-(chloromethyl)-1,2-dimethylbenzene

5973-71-7

3,4-dimethylbenzaldehyde

Conditions
ConditionsYield
With sodium nitrate; acetic acid In water for 3h; Reflux;92%
With potassium hydroxide; cetyltrimethylammonim bromide; potassium nitrate In water for 6h; pH=10 - 11; Reflux;81%

(chloro)(3,4-dimethylphenyl)methyl p-tolyl sulfoxide

A

5973-71-7

3,4-dimethylbenzaldehyde

B

103-19-5

di(p-tolyl) disulfide

C

307929-13-1

3,5-di(3,4-dimethylphenyl)-1,2,4,6-thiatriazine 1-oxide

D

22884-95-3

3,4-dimethylbenzonitrile

Conditions
ConditionsYield
With tetrasulphure tetranitride In 1,4-dioxane for 7h; Heating;A n/a
B 86%
C 22%
D n/a
94416-66-7

3,4-dimethylbenzyl bromide

5973-71-7

3,4-dimethylbenzaldehyde

Conditions
ConditionsYield
With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water for 5h; Reflux;85%
95-47-6

o-xylene

52023-52-6

N,N,N',N'-tetraformylhydrazine

A

5973-71-7

3,4-dimethylbenzaldehyde

B

3,4-Dimethylbenzaldehyd-azin

Conditions
ConditionsYield
Stage #1: o-xylene; N,N,N',N'-tetraformylhydrazine With aluminium trichloride In 1,2-dichloro-ethane at -15 - 1℃; for 19h;
Stage #2: With water
A 9%
B 77%
201230-82-2

carbon monoxide

31599-61-8

3,4-dimethyliodobenzene

5973-71-7

3,4-dimethylbenzaldehyde

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; formic acid; tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 60℃; under 760 Torr; Carbonylation; Electrochemical reaction;76%
95-47-6

o-xylene

332047-72-0

tris(diformylamino)methane

5973-71-7

3,4-dimethylbenzaldehyde

Conditions
ConditionsYield
Stage #1: o-xylene; tris(diformylamino)methane With aluminium trichloride In 1,2-dichloro-ethane at -19 - 0℃;
Stage #2: With water Heating;
65%
With aluminium trichloride In 1,2-dichloro-ethane at -19 - -1℃; for 15h;42%
95-47-6

o-xylene

332047-72-0

tris(diformylamino)methane

A

5973-71-7

3,4-dimethylbenzaldehyde

B

34101-86-5

3,3',4,4'-tetramethyl-1,2-diphenylethane

Conditions
ConditionsYield
With aluminium trichloride In 1,2-dichloro-ethane Product distribution; Further Variations:; reagent amount;A 64%
B 3%
75-77-4

chloro-trimethyl-silane

6966-10-5

3,4-dimethylbenzyl alcohol

791-28-6

Triphenylphosphine oxide

A

5973-71-7

3,4-dimethylbenzaldehyde

B

107-46-0

Hexamethyldisiloxane

C

603-35-0

triphenylphosphine

Conditions
ConditionsYield
With 2,6-dimethylpyridine; tetrabutylammonium tetrafluoroborate In acetonitrile at 40℃; Electrochemical reaction;A 61%
B 10%
C 72 %Spectr.

3,4-Dimethylbenzaldehyde Chemical Properties

Molecule structure of 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7):

IUPAC Name: 3,4-Dimethylbenzaldehyde 
Molecular Weight: 134.1751 g/mol
Molecular Formula: C9H10
Melting Point: 225-226 °C
Index of Refraction: 1.551
Molar Refractivity: 42.65 cm3
Molar Volume: 133.6 cm3
Surface Tension: 36.1 dyne/cm
Density: 1.003 g/cm3
Flash Point: 97.7 °C
Enthalpy of Vaporization: 46.18 kJ/mol
Boiling Point: 225.3 °C at 760 mmHg
Vapour Pressure: 0.0871 mmHg at 25 °C 
Sensitive: air sensitive
XLogP3: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 134.073165
MonoIsotopic Mass: 134.073165
Topological Polar Surface Area: 17.1
Heavy Atom Count: 10
Canonical SMILES: CC1=C(C=C(C=C1)C=O)C
InChI: InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N
EINECS: 227-770-2
Product Categories: Benzene derivatives;Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;API intermediates;Aldehydes;C9;Carbonyl Compounds

3,4-Dimethylbenzaldehyde Uses

 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is used for the preparation of pharmaceutical intermediates, nucleation transparent agent, spices, etc.

3,4-Dimethylbenzaldehyde Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37-26 
S24/25:Avoid contact with skin and eyes. 
S36/37:Wear suitable protective clothing and gloves. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant

3,4-Dimethylbenzaldehyde Specification

 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is also named as Benzaldehyde, 3,4-dimethyl- . 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is clear colorless to yellowish liquid.

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