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3-Methoxy-4-methylaniline

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Name

3-Methoxy-4-methylaniline

EINECS 240-500-8
CAS No. 16452-01-0 Density 1.039 g/cm3
PSA 35.25000 LogP 2.16700
Solubility Insoluble in water Melting Point 56-60 °C
Formula C8H11NO Boiling Point 251 °C at 760mmHg
Molecular Weight 137.181 Flash Point 109.6 °C
Transport Information N/A Appearance Brown chunky solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16452-01-0 (3-METHOXY-4-METHYLANILINE) Hazard Symbols R36/37/38:;
Synonyms

m-Anisidine,4-methyl- (5CI);(3-Methoxy-4-methylphenyl)amine;2-Methoxy-4-aminotoluene;3-Methoxy-4-methylaniline;3-Methoxy-4-methylbenzenamine;3-Methoxy-p-toluidine;4-Amino-2-methoxytoluene;4-Methyl-3-methoxyaniline;5-Amino-2-methylanisole;

Article Data 20

3-Methoxy-4-methylaniline Specification

The 3-Methoxy-4-methylaniline, with the CAS registry number 16452-01-0, is also known as 3-Methoxy-4-methylphenylamine. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates. Its EINECS registry number is 240-500-8. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. Its IUPAC name is called 3-methoxy-4-methylaniline. This chemical's classification code is Mutation data. In additon, it is brown chunky solid.

Physical properties of 3-Methoxy-4-methylaniline: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.03; (6)ACD/BCF (pH 7.4): 5.67; (7)ACD/KOC (pH 5.5): 106.94; (8)ACD/KOC (pH 7.4): 120.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 41.99 cm3; (14)Molar Volume: 131.9 cm3; (15)Surface Tension: 37.8 dyne/cm; (16)Density: 1.039 g/cm3; (17)Flash Point: 109.6 °C; (18)Enthalpy of Vaporization: 48.83 kJ/mol; (19)Boiling Point: 251 °C at 760 mmHg; (20)Vapour Pressure: 0.021 mmHg at 25°C.

Uses of 3-Methoxy-4-methylaniline: it can be used to produce 8-methoxy-7-methylalloxazine. This reaction will need solvent ethanol, H2O with reaction time of 2 hours. The yield is about 48%.

When you are using this chemical, please be cautious about it as the following:
This chemical 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)N)OC
(2)InChI: InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
(3)InChIKey: ONADZNBSLRAJFW-UHFFFAOYSA-N

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