CAS No.1007-26-7,NEOPENTYLBENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1007-26-7
Name:	NEOPENTYLBENZENE
Article Data:	40

Formula:	C₁₁H₁₆
Molecular Weight:	148.248
Synonyms:	Benzene,neopentyl- (6CI,7CI,8CI);(2,2-Dimethylpropyl)benzene;1-Phenyl-2,2-dimethylpropane;Neopentylbenzene;
Density:	0.862 g/cm³
Melting Point:	-44.72°C (estimate)
Boiling Point:	185.5 °C at 760 mmHg
Flash Point:	50.6 °C
Solubility:	Slightly soluble in water.
Appearance:	clear colorless liquid
Hazard Symbols:	R10:;
Risk Codes:	10
Safety:	16
PSA:	0.00000
LogP:	3.27520

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Specification

The Benzene,(2,2-dimethylpropyl)- is an organic compound with the formula C₁₁H₁₆. The IUPAC name of this chemical is 2,2-dimethylpropylbenzene. With the CAS registry number 1007-26-7, it is also named as (1,1-Dimethylethyl)methylbenzene. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzene,(2,2-dimethylpropyl)- are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.44; (3)ACD/LogD (pH 7.4): 4.44; (4)ACD/BCF (pH 5.5): 1389.47; (5)ACD/BCF (pH 7.4): 1389.47; (6)ACD/KOC (pH 5.5): 6183.72; (7)ACD/KOC (pH 7.4): 6183.72; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.489; (10)Molar Refractivity: 49.66 cm³; (11)Molar Volume: 171.8 cm³; (12)Polarizability: 19.68×10^-24cm³; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.862 g/cm³; (15)Flash Point: 50.6 °C; (16)Enthalpy of Vaporization: 40.44 kJ/mol; (17)Boiling Point: 185.5 °C at 760 mmHg; (18)Vapour Pressure: 0.953 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2-dimethyl-1-phenyl-propan-1-one. This reaction will need reagent yellow ammonium sulfide. The reaction temperature is 205 °C.

Uses of Benzene,(2,2-dimethylpropyl)-: it can be used to produce 1-bromo-4-neopentyl-benzene. It will need reagent Br₂, aq. AcOH.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CC(C)(C)C
(2)InChI: InChI=1/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
(3)InChIKey: CJGXJKVMUHXVHL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
(5)Std. InChIKey: CJGXJKVMUHXVHL-UHFFFAOYSA-N