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2131-41-1

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Basic Information
CAS No.: 2131-41-1
Name: 1,4,5-TRIMETHYLNAPHTHALENE
Article Data: 19
Molecular Structure:
Molecular Structure of 2131-41-1 (1,4,5-TRIMETHYLNAPHTHALENE)
Formula: C13H14
Molecular Weight: 170.254
Synonyms: 1,4,5-Trimethylnaphthalene;
EINECS: 218-356-2
Density: 0.987 g/cm3
Melting Point: 60 °C
Boiling Point: 290.3 °C at 760 mmHg
Flash Point: 130.5 °C
Solubility: 2.1mg/L(25 oC)
Risk Codes: 36/37/38
Safety: 26-36
PSA: 0.00000
LogP: 3.76500
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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