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| CAS No.: | 1971-81-9 |
|---|---|
| Name: | 4-DIMETHYLAMINO-1-NAPHTHALDEHYDE |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C13H13NO |
| Molecular Weight: | 199.252 |
| Synonyms: | 4-(Dimethylamino)-1-naphthalenecarboxaldehyde;4-(Dimethylamino)-1-naphthaldehyde;1-Naphthaldehyde,4-(dimethylamino)- (6CI,7CI,8CI); |
| Density: | 1.15 g/cm3 |
| Melting Point: | 43-45 °C(lit.) |
| Boiling Point: | 346.6 °C at 760 mmHg |
| Flash Point: | 136.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 20.31000 |
| LogP: | 2.71830 |
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Specification
The 1-Naphthalenecarboxaldehyde,4-(dimethylamino)-, with the CAS registry number 1971-81-9, is also known as 4-Dimethylamino-1-naphthaldehyde. It belongs to the product categories of Aldehydes; C10 to C21; Carbonyl Compounds. This chemical's molecular formula is C13H13NO and molecular weight is 199.25. Its systematic name is called 4-(dimethylamino)naphthalene-1-carbaldehyde. The product should be sealed and stored in cool, dry place.
Physical properties of 1-Naphthalenecarboxaldehyde,4-(dimethylamino)-: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 120.48; (5)ACD/BCF (pH 7.4): 120.48; (6)ACD/KOC (pH 5.5): 1074.32; (7)ACD/KOC (pH 7.4): 1074.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.676; (11)Molar Refractivity: 65.16 cm3; (12)Molar Volume: 173.2 cm3; (13)Surface Tension: 48.9 dyne/cm; (14)Density: 1.15 g/cm3; (15)Flash Point: 136.7 °C; (16)Enthalpy of Vaporization: 59.08 kJ/mol; (17)Boiling Point: 346.6 °C at 760 mmHg; (18)Vapour Pressure: 5.69E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by N,N-dimethyl-formamide and dimethyl-naphthalen-1-yl-amine. This reaction is a kind of Vilsmeier reaction. It will need reagent phosphoryl chloride and solvent toluene. The reaction time is 2 hours with reaction temperature of 30 - 80 °C. The yield is about 67%.
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Uses of 1-Naphthalenecarboxaldehyde,4-(dimethylamino)-: it can be used to produce (4-dimethylamino-1-naphthyl)-tris(trimethylsilyl)silylmethanol at temperature of 20 °C. This reaction is a kind of Addition. It will need solvent tetrahydrofuran with reaction time of 24 hours. The yield is about 73%.
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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. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1ccccc1c(cc2)N(C)C
(2)InChI: InChI=1/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
(3)InChIKey: XCQFZIFIUMBSAO-UHFFFAOYAK