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1-Naphthalenamine,2-methyl-

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Name

1-Naphthalenamine,2-methyl-

EINECS N/A
CAS No. 2246-44-8 Density 1.106 g/cm3
PSA 26.02000 LogP 3.31160
Solubility N/A Melting Point 28-31 °C(lit.)
Formula C11H11N Boiling Point 312.3 °C at 760 mmHg
Molecular Weight 157.215 Flash Point 157.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22
Molecular Structure Molecular Structure of 2246-44-8 (1-AMINO-2-METHYLNAPHTHALENE) Hazard Symbols HarmfulXn
Synonyms

2-Methyl-1-naftylamin;

Article Data 23

1-Naphthalenamine,2-methyl- Specification

The 1-Naphthalenamine,2-methyl-, with the CAS registry number of 2246-44-8, is also known as 2-Methyl-1-naftylamin. This chemical's molecular formula is C11H11N and molecular weight is 157.21. What's more, its IUPAC name is 2-Methylnaphthalen-1-amine. This chemical's classification code is Skin / Eye Irritant.

Physical properties about the 1-Naphthalenamine,2-methyl- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 54.85; (6)ACD/BCF (pH 7.4): 58.37; (7)ACD/KOC (pH 5.5): 600.82; (8)ACD/KOC (pH 7.4): 639.37; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 53.15 cm3; (15)Molar Volume: 142.1 cm3; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 157.1 °C; (19)Enthalpy of Vaporization: 55.32 kJ/mol; (20)Boiling Point: 312.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000535 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Methyl-naphthalene. The reaction needs reagents Ammonia and m-Dicyanobenzene. Meanwhile, it needs solvents Acetonitrile and H2O. The reaction time is 15 h. The yield is about 36 %.



Uses: it is used to produce other chemicals. For example, it is used to produce N-(2-Methyl-[1]naphthyl)-benzamide. This reaction needs reagent Triethylamine. Meanwhile, it needs solvent Toluene. The reaction time is 16 h. The yield is about 87 %.



When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. During using it, wear suitable protective clothing. In addition, if contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc2ccc(c(N)c12)C
(2) InChI: InChI=1/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3
(3) InChIKey: JMBLSGAXSMOKPN-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2830uL/kg (2.83mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
Link to PubMed
rat LD50 oral 620mg/kg (620mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
Link to PubMed

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