CAS No.15971-29-6,4-Methoxy-1-naphthaldehyde Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15971-29-6
Name:	4-Methoxy-1-naphthaldehyde
Article Data:	35

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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Specification

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 AlCl₃and 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