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CAS No.: | 15971-29-6 |
---|---|
Name: | 4-Methoxy-1-naphthaldehyde |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C12H10O2 |
Molecular Weight: | 186.21 |
Synonyms: | 1-Naphthaldehyde,4-methoxy- (7CI,8CI);4-Methoxy-1-naphthaldehyde;4-Methoxy-1-naphthalenecarboxaldehyde;4-Methoxy-1-naphthylaldehyde;NSC 97025; |
EINECS: | 240-109-2 |
Density: | 1.169 g/cm3 |
Melting Point: | 32-35 °C |
Boiling Point: | 321 °C at 760 mmHg |
Flash Point: | 172.7 °C |
Appearance: | slightly beige to pink-brown low melting solid |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 2.66090 |
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The IUPAC name of 4-Methoxy-1-naphthaldehyde is 4-methoxynaphthalene-1-carbaldehyde. With the CAS registry number 15971-29-6, it is also named as 1-Naphthalenecarboxaldehyde,4-methoxy-. The product's categories are Aldehydes; C10 to C21; Carbonyl Compounds. Besides, it is slightly beige to pink-brown low melting solid. It irritates to eyes, respiratory system and skin. You should avoid contact with skin and eyes when use this chemical. In addition, its molecular formula is C12H10O2 and molecular weight is 186.21.
The other characteristics of this product can be summarized as: (1)EINECS: 240-109-2; (2)ACD/LogP: 2.93; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.93; (5)ACD/LogD (pH 7.4): 2.93; (6)ACD/BCF (pH 5.5): 99.4; (7)ACD/BCF (pH 7.4): 99.4; (8)ACD/KOC (pH 5.5): 936.15; (9)ACD/KOC (pH 7.4): 936.15; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 26.3 Å2; (14)Index of Refraction: 1.642; (15)Molar Refractivity: 57.52 cm3; (16)Molar Volume: 159.2 cm3; (17)Polarizability: 22.8×10-24cm3; (18)Surface Tension: 45.2 dyne/cm; (19)Density: 1.169 g/cm3; (20)Flash Point: 172.7 °C; (21)Melting Point: 32-35 °C; (22)Enthalpy of Vaporization: 56.27 kJ/mol; (23)Boiling Point: 321 °C at 760 mmHg; (24)Vapour Pressure: 0.000307 mmHg at 25 °C.
Preparation of 4-Methoxy-1-naphthaldehyde: this chemical can be prepared by the reaction of 1-methoxy-naphthalene with Triformamid.
This reaction needs AlCl3 and chlorobenzene at temperature of 3-20 °C for 17.5 hours. The yield is 42 %.
Uses of 4-Methoxy-1-naphthaldehyde: this chemical is used for fluorometric assays for isozymes of human alcohol dehydrogenase. Additionally, it can be used to produce 4-methoxy-[1]naphthoic acid.
This reaction needs NaClO2, NaH2PO4, 2-methyl-2-butene, H2O and 2-methyl-propan-2-ol for 20 hours. The yield is 96 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc2c1ccccc1c(OC)cc2
(2)InChI: InChI=1/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
(3)InChIKey: MVXMNHYVCLMLDD-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
(5)Std. InChIKey: MVXMNHYVCLMLDD-UHFFFAOYSA-N