CAS No.484-65-1,2,3,4,5,6-PENTAMETHYLBENZYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	484-65-1
Name:	2,3,4,5,6-PENTAMETHYLBENZYL CHLORIDE
Article Data:	28

Formula:	C₁₂H₁₇Cl
Molecular Weight:	196.72
Synonyms:	Benzene,(chloromethyl)pentamethyl- (6CI,7CI,8CI,9CI);(Chloromethyl)pentamethylbenzene;2,3,4,5,6-Pentamethylbenzyl chloride;NSC 98359;Pentamethyl(chloromethyl)benzene;Pentamethylbenzyl chloride;
EINECS:	207-608-7
Density:	0.991 g/cm³
Melting Point:	80-85 °C
Boiling Point:	295.1 °C at 760 mmHg
Flash Point:	128.2 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38
Safety:	37/39-26
Transport Information:	3261
PSA:	0.00000
LogP:	3.96740

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Specification

The CAS register number of Benzene,1-(chloromethyl)-2,3,4,5,6-pentamethyl- is 484-65-1. It also can be called as (Chloromethyl)pentamethylbenzene and the IUPAC name about this chemical is 1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene. The molecular formula about this chemical is C₁₂H₁₇Cl and the molecular weight is 196.72.

Physical properties about Benzene,1-(chloromethyl)-2,3,4,5,6-pentamethyl- are: (1)ACD/LogP: 4.79; (2)ACD/LogD (pH 5.5): 4.79; (3)ACD/LogD (pH 7.4): 4.79; (4)ACD/BCF (pH 5.5): 2560.56; (5)ACD/BCF (pH 7.4): 2560.56; (6)ACD/KOC (pH 5.5): 9578.16; (7)ACD/KOC (pH 7.4): 9578.16 ; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.517; (10)Molar Refractivity: 60.14 cm³; (11)Molar Volume: 198.5 cm³; (12)Polarizability: 23.84x10^-24cm³; (13)Surface Tension: 31.6 dyne/cm; (14)Density: 0.991 g/cm³; (15)Flash Point: 128.2 °C; (16)Enthalpy of Vaporization: 51.33 kJ/mol; (17)Boiling Point: 295.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00275 mmHg at 25 °C.

Preparation: this chemical can be prepared by hexamethylbenzene. This reaction will need reagent of H₂CeCl₆*2Py and solvent of methanol. The reaction needs heating.

Uses of Benzene,1-(chloromethyl)-2,3,4,5,6-pentamethyl-: it can be used to produce 2,3,4,5,6-Pentamethylbenzyl-nitrat. This reaction will need reagent of AgNO₃ and solvent of acetonitrile.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is corrosive and lachrymatory. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1c(c(c(c(c1C)C)C)C)C
(2)InChI: InChI=1/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3
(3)InChIKey: CXUAEBDTJFKMBV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3
(5)Std. InChIKey: CXUAEBDTJFKMBV-UHFFFAOYSA-N