CAS No.463-82-1,Neopentane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	463-82-1
Name:	Neopentane
Article Data:	110

Formula:	C5H12
Molecular Weight:	72.1503
Synonyms:	1,1,1-Trimethylethane;2,2-Dimethylpropane;Neopentane;Tetramethylmethane;tert-Pentane;
EINECS:	207-343-7
Density:	0.649 g/cm³
Melting Point:	-19.5oC
Boiling Point:	7.2 ºC at 760 mmHg
Flash Point:	°C
Hazard Symbols:	Highly flammable, dangerous fire risk, explosive limits in air 1.4–7.5%.
Risk Codes:	R12; R51/53
Safety:	Poison by intraperitoneal route. An inhalation hazard. Both the gas and the liquid are flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA:	0.00000
LogP:	2.05240

Synthetic route

: tris(cyclopentadienyl)thorium(IV) neopentyl

: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
In benzene-d6 Kinetics; thermolysis at 167 +/- 1°C;	100%

: 116563-64-5
trans-neopentyl(trifluoromethanesulfonato)bis(trimethylphosphine)platinum(II)

: 108-88-3
toluene

: (trifluoromethanesulfonato)bis(trimethylphosphine)(m-tolyl)platinum(II)

: (trifluoromethanesulfonato)bis(trimethylphosphine)(p-tolyl)platinum(II)

C: 463-82-1
2,2-dimethylpropane

D: 1630-94-0
1,1-dimethylcyclopropane

Conditions

Conditions	Yield
In toluene Kinetics; thermolysis in toluene at 133°C for 80 min (Ar or N2);	A n/a B n/a C 99% D 1%

...Expand

: 34557-54-5
methane

: 586367-34-2
[(η5-pentamethylcyclopentadienide)Sc(CH2C(CH3)3]

A: 99707-15-0
(eta.5-C5Me5)2ScCH3

B: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
In Cyclohexane-d12 Kinetics; under Ar, in the dark; in NMR tube; CH4 added to soln. of Sc complex in cyclohexane-d12 at 77 K; warmed to 11-50°C; not isolated; monitored by (1)H NMR spectra;	A 99% B 99%
In benzene-d6 Kinetics; under Ar, in the dark; in NMR tube; CH4 added to soln. of Sc complex in benzene-d6 at 77 K; warmed to 11-50°C; not isolated; monitored by (1)H NMR spectra;	A 99% B 99%

...Expand

: cyclopentadienylbis(neopentyl)indium(III)

: 75-65-0
tert-butyl alcohol

A: 463-82-1
2,2-dimethylpropane

B: 614750-99-1
[(neopentyl)2InO(t-Bu)]2

Conditions

Conditions	Yield
In diethyl ether under Ar; soln. of t-BuOH in Et2O added to In compd. (molar ratio 1:1) in Et2O at room temp.; stirred for 1 h; volatiles removed by vac. distn.; recrystd. from Et2O at -40°C; crystals washed with pentane at 0°C; elem. anal.;	A 0% B 98.3%

...Expand

: dineopentyl(bis(triphenylphosphine))palladium(II)

: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
With hydrogenchloride In toluene protonolysis with gaseous HCl;	98%

: (CH2C(CH3)3)2Pt(P(C2D5)3)2

A: 463-82-1
2,2-dimethylpropane

: 75095-31-7
((CH2)2C(CH3)2)Pt(P(C2D5)3)2

Conditions

Conditions	Yield
In Cyclopentane; cyclohexane (Ar); a soln. of Pt-complex heated at 150°C for 24 min; quenched thermally at -196°C; evapd.; dissolved in acetonitrile;separated; evapd.;	A 98% B n/a

: 110638-22-7
trineopentylaluminum*H2NCH3

A: 110638-25-0
dineopentylaluminum(CH3NH)

B: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
In neat (no solvent) Freshly sublimed ((CH3)3CCH2)3Al*CH3NH2 is heated under protective gas for 10 h at 96°C.; After cooling distn. of neopentane, vac. sublimation of residue at 80°C, elem. anal., mol wt.;	A 97% B n/a

: cis-[bis-(dicyclohexylphosphino)ethane]hydridoneopentylplatinum(II)

: 111823-35-9
3-methyl-2-isopropyl-1-butene

A: 111848-52-3
{3-methyl-2-(2-propyl)-1-butene}{bis(dicyclohexylphosphino)ethane}platinum(0)

B: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
In cyclohexane Kinetics; thermolysis of cis-hydridoneopentyl{bis(dicyclohexylphosphino)ethane}platinum(II) in 3-methyl-2-(2-propyl)-1-butene/cyclohexane via supposed {bis(dicyclohexylphosphino)ethane}platinum(0) at 69°C to completion;	A 97% B n/a

...Expand

: 106136-98-5
trineopentylindium

: 829-85-6
diphenylphosphane

A: 110138-91-5
((CH3)3CCH2)2In(P(C6H5)2)

B: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
In benzene The mixt. of reagents in benzene was kept at 60°C for 3 d;; evapd., washed with benzene, pentane at -78°C;;	A 69.3% B 96.6%

...Expand

: 1070-83-3
tert-Butylacetic acid

: 463-82-1
2,2-dimethylpropane

Conditions

Conditions	Yield
With hydrogen; silica gel; palladium at 330℃;	96%

Downstream Products

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Consensus Reports

NEOPENTANE's Reported in EPA TSCA Inventory.

Standards and Recommendations

ACGIH TLV: TWA 600 ppm
DFG MAK: 1000 ppm (3000 mg/m³)
NIOSH REL: TWA 120 ppm; CL 610 ppm/15M
DOT Classification: 2.1; Label: Flammable Gas

Specification

The Neopentane, with the CAS registry number 463-82-1,is also known as 1,1,1-Trimethylethane. It belongs to the product categories of Organics.Its EINECS number is 207-343-7. This chemical's molecular formula is C₅H₁₂ and molecular weight is 72.15. What's more,Its systematic name is Neopentane.The Neopentane is extremely Flammable ,so you should keep away from sources of ignition - No smoking .And it toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment ,so the chemical should be avoid release to the environment. Refer to special instructions safety data sheet .And keep container in a well-ventilated place .The govenment should take precautionary measures against static discharges .

Physical properties about Neopentane are:
(1)ACD/LogP: 3; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.00; (4)ACD/LogD (pH 7.4): 3.00; (5)ACD/BCF (pH 5.5): 112.26; (6)ACD/BCF (pH 7.4): 112.26; (7)ACD/KOC (pH 5.5): 1021.29; (8)ACD/KOC (pH 7.4): 1021.29; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.371; (13)Molar Refractivity: 25.179 cm³; (14)Molar Volume: 111.118 cm³; (15)Surface Tension: 17.1639995574951 dyne/cm; (16)Density: 0.649 g/cm³; (17)Flash Point: -66.016 °C; (18)Enthalpy of Vaporization: 24.507 kJ/mol; (19)Boiling Point: 7.223 °C at 760 mmHg; (20)Vapour Pressure: 1415.40600585938 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)C;
(2)Std. InChI:InChI=1S/C5H12/c1-5(2,3)4/h1-4H3;
(3)Std. InChIKey:CRSOQBOWXPBRES-UHFFFAOYSA-N.

The toxicity data of Neopentane are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LCLo	inhalation	1097gm/m3/2H (1097000mg/m3)	BEHAVIORAL: EXCITEMENT	Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		Hindustan Antibiotics Bulletin. Vol. 10, Pg. 206, 1968.