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Naphthalene,1,4,5-trimethyl-

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Name

Naphthalene,1,4,5-trimethyl-

EINECS 218-356-2
CAS No. 2131-41-1 Density 0.987 g/cm3
PSA 0.00000 LogP 3.76500
Solubility 2.1mg/L(25 oC) Melting Point 60 °C
Formula C13H14 Boiling Point 290.3 °C at 760 mmHg
Molecular Weight 170.254 Flash Point 130.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2131-41-1 (1,4,5-TRIMETHYLNAPHTHALENE) Hazard Symbols N/A
Synonyms

1,4,5-Trimethylnaphthalene;

Article Data 19

Naphthalene,1,4,5-trimethyl- Specification

The Naphthalene,1,4,5-trimethyl-, with the CAS registry number 2131-41-1, belongs to the product category of Naphthalene Derivatives. Its EINECS registry number is 218-356-2. This chemical's molecular formula is C13H14 and molecular weight is 170.25026. Its IUPAC name is called 1,4,5-trimethylnaphthalene.

Physical properties of Naphthalene,1,4,5-trimethyl-: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2755.51; (5)ACD/BCF (pH 7.4): 2755.51; (6)ACD/KOC (pH 5.5): 10094.66; (7)ACD/KOC (pH 7.4): 10094.66; (8)Index of Refraction: 1.594; (9)Molar Refractivity: 58.57 cm3; (10)Molar Volume: 172.3 cm3; (11)Surface Tension: 36.6 dyne/cm; (12)Density: 0.987 g/cm3; (13)Flash Point: 130.5 °C; (14)Enthalpy of Vaporization: 50.84 kJ/mol; (15)Boiling Point: 290.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00364 mmHg at 25°C.

Uses of Naphthalene,1,4,5-trimethyl-: it can be used to produce 1-nitro-4,5,8-trimethylnaphthalene at temperature of 25 °C. This reaction will need reagents dinitrogen tetroxide, methanesulfonic acid and solvent CH2Cl2. The yield is about 94%.

Naphthalene,1,4,5-trimethyl- can be used to produce 1-nitro-4,5,8-trimethylnaphthalene

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C=CC=C(C2=C(C=C1)C)C
(2)InChI: InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3
(3)InChIKey: FSAWRQYDMHSDRN-UHFFFAOYSA-N

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