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| CAS No.: | 5261-50-7 |
|---|---|
| Name: | 1-CHLOROMETHYL-4-METHYLNAPHTHALENE |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H11Cl |
| Molecular Weight: | 190.672 |
| Synonyms: | 1-(Chloromethyl)-4-methylnaphthalene;1-Methyl-4-(chloromethyl)naphthalene;4-Chloromethyl-1-methylnaphthalene;NSC59831; |
| Density: | 1.138 g/cm3 |
| Melting Point: | 58 °C |
| Boiling Point: | 314.4 °C at 760 mmHg |
| Flash Point: | 138.9 °C |
| Hazard Symbols: |
 C;  T
|
| Risk Codes: | 21/22-34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 0.00000 |
| LogP: | 3.88700 |
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Specification
The Naphthalene,1-(chloromethyl)-4-methyl-, with CAS registry number 5261-50-7, has the systematic name of 1-(chloromethyl)-4-methylnaphthalene. Besides this, it is also called 4-Chloromethyl-1-methylnaphthalene. And the chemical formula of this chemical is C12H11Cl.
Physical properties of Naphthalene,1-(chloromethyl)-4-methyl-: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.18; (4)ACD/LogD (pH 7.4): 4.18; (5)ACD/BCF (pH 5.5): 881.11; (6)ACD/BCF (pH 7.4): 881.11; (7)ACD/KOC (pH 5.5): 4463.28; (8)ACD/KOC (pH 7.4): 4463.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 58.68 cm3; (15)Molar Volume: 167.5 cm3; (16)Polarizability: 23.26×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 138.9 °C; (20)Enthalpy of Vaporization: 53.35 kJ/mol; (21)Boiling Point: 314.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00086 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-dihydro-1,4-dimethyl-1,4-epidioxynaphthalene. This reaction will need reagent aq. 5N HCl and solvent tetrahydrofuran. The reaction time is 3 hour(s) with reaction temperature of 25 ℃. The yield is about 100%.
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When you are using this chemical, please be cautious about it as the following:
The Naphthalene,1-(chloromethyl)-4-methyl- is harmful in contact with skin and if swallowed. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2ccc(c1ccccc12)C
(2)InChI: InChI=1/C12H11Cl/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,8H2,1H3
(3)InChIKey: QHXSBKTZBDHBKF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H11Cl/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,8H2,1H3
(5)Std. InChIKey: QHXSBKTZBDHBKF-UHFFFAOYSA-N