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Benzaldehyde,4-(dimethylamino)-2-methyl-

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Name

Benzaldehyde,4-(dimethylamino)-2-methyl-

EINECS 214-846-5
CAS No. 1199-59-3 Density 1.05 g/cm3
PSA 20.31000 LogP 1.87350
Solubility N/A Melting Point 64-66 °C
Formula C10H13NO Boiling Point 292.7 °C at 760 mmHg
Molecular Weight 163.219 Flash Point 113.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1199-59-3 (4-DIMETHYLAMINO-O-TOLUALDEHYDE) Hazard Symbols N/A
Synonyms

o-Tolualdehyde,4-(dimethylamino)- (7CI,8CI);2-Methyl-4-(N,N-dimethylamino)benzaldehyde;2-Methyl-4-(dimethylamino)benzaldehyde;4-(Dimethylamino)-2-methylbenzaldehyde;4-Dimethylamino-o-tolualdehyde;NSC 156548;

Article Data 17

Benzaldehyde,4-(dimethylamino)-2-methyl- Specification

The Benzaldehyde,4-(dimethylamino)-2-methyl-, with the CAS registry number 1199-59-3, is also known as o-Tolualdehyde,4-(dimethylamino)- (7CI,8CI) and 4-Dimethylamino-o-tolualdehyde. Its EINECS registry number is 214-846-5. This chemical's molecular formula is C10H13NO and molecular weight is 163.22. What's more, its IUPAC name is 4-(Dimethylamino)-2-methylbenzaldehyde.

Physical properties about Benzaldehyde,4-(dimethylamino)-2-methyl- are: (1) ACD/LogP: 2.27; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.27; (4) ACD/LogD (pH 7.4): 2.27; (5) ACD/BCF (pH 5.5): 31.27; (6) ACD/BCF (pH 7.4): 31.28; (7) ACD/KOC (pH 5.5): 409.08; (8) ACD/KOC (pH 7.4): 409.19; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 20.31 Å2; (13) Index of Refraction: 1.586; (14) Molar Refractivity: 52.14 cm3; (15)Molar Volume: 155.3 cm3; (16) Polarizability: 20.67×10-24 cm3; (17) Surface Tension: 40.5 dyne/cm; (18) Density: 1.05 g/cm3; (19) Flash Point: 113.1 °C; (20) Enthalpy of Vaporization: 53.22 kJ/mol; (21) Boiling Point: 292.7 °C at 760 mmHg; (22) Vapour Pressure: 0.0018 mmHg at 25 °C. 

Preparation of Benzaldehyde,4-(dimethylamino)-2-methyl-: this chemical can be prepared by N,N-Dimethyl-formamide and 3,N,N-Trimethyl-aniline. This reaction needs reagent POCl3. The yield is 68 %. And the reaction equation is as followed:

Benzaldehyde,4-(dimethylamino)-2-methyl- is prepared by N,N-Dimethyl-formamide and 3,N,N-Trimethyl-aniline

Uses of Benzaldehyde,4-(dimethylamino)-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2,6-Dichloro-N'-(4-dimethylamino-2-methyl-benzylidene)-benzene-1,4-diamine. The reaction occurs with solvent ethanol by heating for 1.5 hours. The yield is 62 %. And the reaction equation is as followed:

Benzaldehyde,4-(dimethylamino)-2-methyl- is used to produce 2,6-Dichloro-N'-(4-dimethylamino-2-methyl-benzylidene)-benzene-1,4-diamine

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. 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) SMILES: O=Cc1c(cc(N(C)C)cc1)C
(2) InChI: InChI=1/C10H13NO/c1-8-6-10(11(2)3)5-4-9(8)7-12/h4-7H,1-3H3
(3) InChIKey: XZWMCPUAUNHGPF-UHFFFAOYAQ

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