Isopentane supplier | CasNO.78-78-4

Name
Isopentane
EINECS 201-142-8
CAS No. 78-78-4
Article Data420
CAS DataBase
Density 0.647 g/cm³
Solubility
Melting Point -160 °C
Formula C₅H₁₂
Boiling Point 26.2 °C at 760 mmHg
Molecular Weight 72.1503
Flash Point -51 °C
Transport Information UN 1265 3/PG 1
Appearance colourless liquid with a characteristic smell
Safety 9-16-29-33-61-62
Risk Codes 12-51/53-65-66-67
Molecular Structure
Hazard Symbols F+, Xn, N
Synonyms 1,1,2-Trimethylethane;2-Methylbutane;Borger Isopentane;Exxsol Isopentane S;
PSA 0.00000
LogP 2.05240

Synthetic route

: 123-51-3
i-Amyl alcohol

: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminium trichloride; polyethoxysilane (silicone GKZh-94) In nitromethane Product distribution;	99%
With molybdenum (IV) sulfide; xylene at 350℃; under 36775.4 Torr;
With tungsten(IV) sulfide at 340℃; under 82376.9 Torr; Hydrogenation;
With tungsten(IV) sulfide at 320℃; under 88260.9 Torr; Hydrogenation;

: 109-66-0
pentane

: 78-78-4
methylbutane

Conditions

Conditions	Yield
With hydrogen under 15001.5 Torr; Catalytic behavior; Reagent/catalyst; Temperature; chemoselective reaction;	98.5%
With hydrogen at 250℃; under 760.051 Torr; Reagent/catalyst; Temperature;	73.2%
With hydrogen; Pd3(PW12O40)2 at 179.9℃;	39.5%

: 78-79-5
isoprene

: 78-78-4
methylbutane

Conditions

Conditions	Yield
With poly(p-aminostyrene)-palladium(II); hydrogen In N,N-dimethyl-formamide at 25℃; under 760 Torr;	97%
With hydrogen; RuH(Cl)(CO)(Ph2-P-2-C6H4CHO)2(pyrazole) In N,N-dimethyl-formamide at 25℃; under 1140.08 Torr; for 1.5h;	94%
With hydrogen; [Pd(acac)(Ph2P-2-C6H4COOH)2]BF4 In N,N-dimethyl-formamide at 25℃; under 1140.08 Torr;	93%

: 75-84-3
2,2-dimethyl-propanol-1

: 78-78-4
methylbutane

Conditions

Conditions	Yield
With sodium tetrahydroborate; trifluorormethanesulfonic acid In diethyl ether for 2h; Product distribution; Ambient temperature; other cyclic and polycyclic methyl alcohols;	95%

: 75-98-9
Trimethylacetic acid

: 78-78-4
methylbutane

Conditions

Conditions	Yield
With sodium tetrahydroborate; trifluorormethanesulfonic acid In diethyl ether for 2h; Product distribution; Ambient temperature; other cyclic and polycyclic carboxylic acids;	95%

: 463-82-1
2,2-dimethylpropane

A: 34557-54-5
methane

B: 74-84-0
ethane

C: 74-98-6
propane

D: 75-28-5
Isobutane

E: 78-78-4
methylbutane

Conditions

Conditions	Yield
With hydrogen; platinum at 243℃; Product distribution; further reaction temperatures, catalysts;	A 2.7% B 1.5% C 1.5% D 6.7% E 87.8%
at 304℃; Product distribution; also from n-butane, other products,other temperatures, other catalysts;	A 7% B 1.7% C 2.4% D 15.6% E 73.3%
With hydrogen; NaY-500; palladium at 216℃; Product distribution; Kinetics; Thermodynamic data; other catalysts, other temperatures; activation energies;
With hydrogen In neat (no solvent) at 275℃; under 1225.5 Torr; Reagent/catalyst; Inert atmosphere;

...Expand

: cis-[bis(η5-cyclopentadienyl)(α,β-dimethyl)titanacyclobutane]

: 78-78-4
methylbutane

Conditions

Conditions	Yield
With hydrogenchloride In toluene under high vac. in a Schlenk tube; acidolysis with 2.2 equiv HCl (prepd. by addn. of concd. H2SO4 to solid HCl in a special app.) in toluene at-50°C under stirring; quantitation of products by GC;	84%

: 71-41-0
pentan-1-ol

A: 78-78-4
methylbutane

B: 109-66-0
pentane

Conditions

Conditions	Yield
With aluminium trichloride; polyethoxysilane (silicone GKZh-94) In nitromethane Product distribution;	A 72% B 23%

: (bis(triphenylphosphine))-3,3-dimethylpalladacyclobutane

A: 34557-54-5
methane

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

C: 78-78-4
methylbutane

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

E: 115-11-7
isobutene

Conditions

Conditions	Yield
With hydrogen In toluene High Pressure; 5 atm H2, room temp., complete reaction at 52°C for 2 h; GLC;	A 4% B 69% C 6% D 14% E 6%

...Expand

: 107-83-5
2-Methylpentane

A: 591-76-4
2-Methylhexane

B: 34557-54-5
methane

C: 74-84-0
ethane

D: 74-98-6
propane

E: 75-28-5
Isobutane

F: 78-78-4
methylbutane

Conditions

Conditions	Yield
With hydrogen; tungsten film at 223.9℃; Product distribution; various temperature;	A 0.2% B n/a C n/a D 1.5% E 1.4% F 65.8%

...Expand

: 109-66-0
pentane

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminum oxide; silica gel; boron trichloride at 59.85℃; Product distribution; Further Variations:; Reagents;	A 8% B 64%
Sulfate; tin(IV) oxide at 249.9℃; Product distribution; pulse reactor; catalyst activity studied, prep. of catalyst varied;	A 7.5% B 3%
aluminum oxide; boron trifluoride at 19.9℃; under 201.02 Torr; Rate constant; different catalytic systems, different BF3-pressure;

: 109-66-0
pentane

A: 74-98-6
propane

B: 78-78-4
methylbutane

Conditions

Conditions	Yield
platinum at 240℃; Product distribution; Further Variations:; Catalysts; Temperatures;	A n/a B 62.2%

: 109-66-0
pentane

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

C: 106-97-8
n-butane

Conditions

Conditions	Yield
phosphotungstic acid; Al2O3-F; platinum at 310℃; Product distribution; Further Variations:; Catalysts; Temperatures;	A 0.6% B 62.1% C 0.6%
With tertiary butyl chloride; C9H20N(1+)*Al2Cl7(1-) at 95℃; under 13446.2 Torr; for 4.4h; Time; Reagent/catalyst; Inert atmosphere;	A 30.79% B 21.33% C 8.72%
aluminum tri-bromide; copper dichloride at 28℃; for 2h; Yield given;

...Expand

: 598-25-4
Dimethylallene

A: 513-35-9
2-methyl-but-2-ene

B: 78-78-4
methylbutane

C: 563-46-2
2-Methyl-1-butene

D: 563-45-1
3-Methyl-1-butene

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.133333h; Product distribution; Ambient temperature; various time;	A 57.5% B 1.2% C 0.1% D 25.2%

...Expand

: 142-82-5
n-heptane

A: 591-76-4
2-Methylhexane

B: 589-34-4
3-methyl-hexane

C: 75-28-5
Isobutane

D: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminum oxide; silica gel; boron trichloride at 59.85℃; Product distribution;	A n/a B n/a C 13% D 55%

...Expand

: 109-66-0
pentane

A: 78-78-4
methylbutane

B: 110-54-3
hexane

C: 287-92-3
Cyclopentane

D: 542-92-7
cyclopenta-1,3-diene

E: 142-29-0
cyclopentene

F: 71-43-2
benzene

G C1-C4: C1-C4

Conditions

Conditions	Yield
With hydrogen; Platinum-copper at 334.9℃; Product distribution; various temp. and percent Pt;	A 1% B n/a C 49.2% D 25.9% E 15.1% F n/a G n/a

...Expand

: {C5H5(CO)Fe}2(μ-CC(CH3)C2H5)

A: 38117-54-3
cyclopentadienyl iron(II) dicarbonyl dimer

B: [(η(5)-Cp)Fe(CO)]4

C: 78-78-4
methylbutane

D: 563-46-2
2-Methyl-1-butene

Conditions

Conditions	Yield
With hydrogen In benzene-d6 Irradiation (UV/VIS); Fe complex was photolyzed (black light bulb, emission max. 366 nm) for 10 h; monitored by NMR;	A 46% B 24% C 48% D 22%

...Expand

: 75-09-2
dichloromethane

: 1068-55-9
isopropylmagnesium chloride

A: 108-08-7
2,4-dimethylpentane

B: 78-78-4
methylbutane

C: 115-11-7
isobutene

Conditions

Conditions	Yield
With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 87.8 %;	A 15% B 25.8% C 47%
With C31H37ClFeN3O2 In tetrahydrofuran at 25℃; for 0.0833333h; Inert atmosphere;

...Expand

: 78-83-1
2-methyl-propan-1-ol

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminium trichloride In nitromethane at 90℃; for 1h; Product distribution; var. temp.;	A 42% B 10%

: 75-28-5
Isobutane

A: 34557-54-5
methane

B: 74-84-0
ethane

C: 74-98-6
propane

D: 78-78-4
methylbutane

E: 106-97-8
n-butane

Conditions

Conditions	Yield
With hydrogen; tungsten film at 205.9℃; Product distribution; various temperature;	A n/a B n/a C 40.5% D 2.3% E 3.2%

...Expand

: 78-92-2, 15892-23-6
iso-butanol

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminium trichloride In nitromethane at 90℃; for 1h; Product distribution; var. temp.;	A 39% B 12%

: 78-79-5
isoprene

A: 513-35-9
2-methyl-but-2-ene

B: 78-78-4
methylbutane

C: 563-46-2
2-Methyl-1-butene

D: 563-45-1
3-Methyl-1-butene

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.116667h; Product distribution; Ambient temperature; various time;	A 38.5% B 0.8% C 20.5% D 22%
With hydrogen; Pd2Cl2<<(EtO)2PO>2H>2 In ethanol at 20℃; Product distribution; influence of reaction time on pruduct distribution;
With hydrogen Product distribution; Rate constant; various Ni-catalysts (Ni-P, Ni-B, Raney nickel), temperatures;

...Expand

: 123-51-3
i-Amyl alcohol

A: 75-28-5
Isobutane

B: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminium trichloride In nitromethane at 90℃; for 1h; Product distribution; var. temp.;	A 37% B 15%

: 594-36-5
2-methyl-2-butylchloride

A: 78-78-4
methylbutane

B: 4032-86-4
3,3-dimethyl-heptane

C: 3074-71-3
2,3-dimethylheptane

Conditions

Conditions	Yield
With aluminium trichloride; tetrabutylsilane In dichloromethane for 0.25h; Ambient temperature; Title compound not separated from byproducts;	A 35% B 33% C n/a

...Expand

: 594-36-5
2-methyl-2-butylchloride

: 3429-63-8
tetraamylsilane

A: 4110-44-5
octane, 3,3-dimethyl-

B: 7146-60-3
2,3-dimethyl-octane

C: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane for 1h; Ambient temperature; Title compound not separated from byproducts;	A 34% B 4% C 33%
With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; various ratios, various time;	A 22 % Chromat. B 10 % Chromat. C 31 % Chromat.

...Expand

: 594-36-5
2-methyl-2-butylchloride

: 994-79-6
tetrabutylsilane

A: 78-78-4
methylbutane

B: 4032-86-4
3,3-dimethyl-heptane

C: 3074-71-3
2,3-dimethylheptane

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane for 0.25h; Ambient temperature; Title compound not separated from byproducts;	A 27% B 33% C n/a
With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; various ratios, various time;	A 27 % Chromat. B 26 % Chromat. C n/a

...Expand

: 594-36-5
2-methyl-2-butylchloride

: 994-66-1
tetrapropylsilane

A: 563-16-6
3,3-dimethylhexane

B: 584-94-1, 116724-01-7
2,3-dimethylhexane

C: 78-78-4
methylbutane

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane for 1h; Ambient temperature; Title compound not separated from byproducts;	A 32% B n/a C 23%
With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; various ratios, various time;	A 28 % Chromat. B 13 % Chromat. C 23 % Chromat.

...Expand

: 106-97-8
n-butane

A: 78-78-4
methylbutane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With zirconium(IV) oxide on dealuminated mordenite at 189.84℃; Product distribution; Further Variations:; Catalysts; Temperatures; atmospheric pressure;	A 4.1% B 28.9%

: 106-97-8
n-butane

A: 74-98-6
propane

B: 75-28-5
Isobutane

C: 78-78-4
methylbutane

D: 110-54-3
hexane

Conditions

Conditions	Yield
Sulfate; tin(IV) oxide at 29.9℃; Product distribution; recirculation reactor; catalyst activity studied varying preparation of catalyst;	A 0.3% B 28.6% C 1.1% D 1.8%

...Expand

: 115-11-7
isobutene

A: 106-98-9
1-butylene

B: 590-18-1
(Z)-2-Butene

C: 513-35-9
2-methyl-but-2-ene

D: 1574-41-0
Z-piperylene

E: 2004-70-8
1-methylbuta-1,3-diene

F: 187737-37-7
propene

G: 34557-54-5
methane

H: 624-64-6
trans-2-Butene

I: 627-20-3
(Z)-pent-2-ene

J: 646-04-8
(E)-pent-2-ene

K: 74-84-0
ethane

L: 74-98-6
propane

M: 75-28-5
Isobutane

N: 78-78-4
methylbutane

O: 74-85-1
ethene

P: 109-67-1
1-penten

Q: 287-92-3
Cyclopentane

R: 563-46-2
2-Methyl-1-butene

S: 563-45-1
3-Methyl-1-butene

T: 142-29-0
cyclopentene

U: 106-97-8
n-butane

V: 109-66-0
pentane

Conditions

Conditions	Yield
CBV1502 at 579.84℃; under 900.09 Torr; Product distribution / selectivity;	A 2.6% B 2.4% C 1.29% D 0.05% E 0.03% F 24.95% G 0.73% H 3.19% I 0.32% J 0.58% K 0.36% L 2.08% M 2.15% N 0.34% O 9.61% P 0.23% Q 0.4% R 0.71% S 0.14% T 0.14% U 1.8% V 0.16%
CBV28014 at 509.84℃; under 900.09 Torr; Product distribution / selectivity;	A 6.71% B 7.3% C 5.62% D 0.02% E 0.03% F 23.29% G 0.09% H 9.97% I 1.1% J 2.06% K 0.07% L 1.24% M 1.95% N 0.59% O 3.25% P 0.7% Q 0.31% R 2.72% S 0.47% T 0.21% U 1.37% V 0.26%

...Expand

: 78-78-4
methylbutane

: 2700-22-3
Benzylidenemalononitrile

A: 2-(2,2-dimethyl-1-phenylbutyl)malononitrile

B: C15H18N2

Conditions

Conditions	Yield
With 9-(2-mesityl)-10-methylacridinium perchlorate; 1,2-dibromomethane at 50℃; for 24h; Irradiation;	A 95% B n/a

...Expand

: 78-78-4
methylbutane

: C14H10ClF3N2O2S

: C12H17Cl

Conditions

Conditions	Yield
Stage #1: C14H10ClF3N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Reagent/catalyst; Sealed tube; Inert atmosphere; regioselective reaction;	92%

: 78-78-4
methylbutane

: C14H10F3IN2O2S

: C12H17I

Conditions

Conditions	Yield
Stage #1: C14H10F3IN2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	89%

: 67-56-1
methanol

: 78-78-4
methylbutane

A: 5171-84-6
3,3,4,4-Tetramethylhexan

B: 19550-30-2, 20281-85-0
2,3-dimethylbutanol

C: 1185-33-7
2,2-Dimethyl-1-butanol

D: 107-21-1
ethylene glycol

Conditions

Conditions	Yield
With mercury for 17h; Product distribution; Mechanism; Heating; Irradiation; other alkanes; selectivity of cross-dimerization, relative reactivities in cross-dimerizations;	A n/a B 11% C 88% D n/a
With mercury for 17h; Heating; Irradiation;	A n/a B 11% C 88% D n/a

...Expand

: 78-78-4
methylbutane

: C14H9Cl2F3N2O2S

: C12H16Cl2

Conditions

Conditions	Yield
Stage #1: C14H9Cl2F3N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	86%

: 78-78-4
methylbutane

: C14H10F3IN2O2S

: C12H17I

Conditions

Conditions	Yield
Stage #1: C14H10F3IN2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	85%

: 78-78-4
methylbutane

: C14H10BrF3N2O2S

: C12H17Br

Conditions

Conditions	Yield
Stage #1: C14H10BrF3N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	84%

: 78-78-4
methylbutane

: C14H8F6N2O2S

: C12H15F3

Conditions

Conditions	Yield
Stage #1: C14H8F6N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	84%

: 78-78-4
methylbutane

: 1641528-26-8
2,2,2-trichloroethyl 2-(4-bromophenyl)-2-diazoacetate

A: C15H18BrCl3O2

B: C15H18BrCl3O2

Conditions

Conditions	Yield
With Rh2[R-tris(p-tBuC6H4)TPCP]4 In dichloromethane Reflux; enantioselective reaction;	A n/a B 82%

...Expand

: 78-78-4
methylbutane

: C14H10F4N2O2S

: C12H17F

Conditions

Conditions	Yield
Stage #1: C14H10F4N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	80%

: 78-78-4
methylbutane

: C14H9BrF4N2O2S

: C12H16BrF

Conditions

Conditions	Yield
Stage #1: C14H9BrF4N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	80%

: 86-98-6
4,7-dichloroquinoline

: 78-78-4
methylbutane

: 4,7-dichloro-2-tert-pentylquinoline

Conditions

Conditions	Yield
With sodium azide; bis-[(trifluoroacetoxy)iodo]benzene In dichloromethane at 20℃;	76%

: 78-78-4
methylbutane

: C15H13F3N2O3S

: C13H20O

Conditions

Conditions	Yield
Stage #1: C15H13F3N2O3S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	76%

: 78-78-4
methylbutane

: C14H10BrF3N2O2S

: C12H17Br

Conditions

Conditions	Yield
Stage #1: C14H10BrF3N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	76%

: 78-78-4
methylbutane

: 22979-35-7
Methyl phenyldiazoacetate

: C14H20O2

Conditions

Conditions	Yield
With {HB[3,5-(CF3)2Pz]3}Ag(THF) at 20℃; chemoselective reaction;	74%

: 78-78-4
methylbutane

: C15H10F6N2O2S

: C13H17F3

Conditions

Conditions	Yield
Stage #1: C15H10F6N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	74%

: 78-78-4
methylbutane

: 595-42-6
2-methyl-2-nitrobutane

Conditions

Conditions	Yield
With air; nitrogen; Nitrogen dioxide; N-hydroxyphthalimide In various solvent(s) at 50℃; under 3800.26 Torr; for 14h;	73%
With nitrogen(II) oxide; Nitrogen dioxide at 120℃;
With nitric acid

: 78-78-4
methylbutane

: 119987-21-2
(E)-methyl 2-diazo-4-phenylbut-3-enoate

: 1130233-07-6
C16H22O2

Conditions

Conditions	Yield
With {HB[3,5-(CF3)2Pz]3}Ag(THF) at 20℃; chemoselective reaction;	73%

: 78-78-4
methylbutane

: 2-isocyano-4’,5-dimethyl-1,1’-biphenyl

A: 1620195-69-8
6-(1,1-dimethylpropyl)-2,8-dimethylphenanthridine

B: 1620195-70-1
6-(1,2-dimethylpropyl)-2,8-dimethylphenanthridine

Conditions

Conditions	Yield
With copper(I) oxide; di-tert-butyl peroxide at 130℃; for 48h; Sealed tube; Overall yield = 56 %;	A 73% B n/a

...Expand

: 491-36-1
4-Hydroxyquinazoline

: 78-78-4
methylbutane

: 2-(tert-pentyl)quinazolin-4(3H)-one

Conditions

Conditions	Yield
With sodium azide; bis-[(trifluoroacetoxy)iodo]benzene In 2,2,2-trifluoroethanol at 20℃; for 3h;	72%

: 78-78-4
methylbutane

: C14H11F3N2O2S

: 28080-86-6
2,2-dimethyl-1-phenylbutane

Conditions

Conditions	Yield
Stage #1: C14H11F3N2O2S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	72%

: 78-78-4
methylbutane

: C15H12F4N2O3S

: C13H19FO

Conditions

Conditions	Yield
Stage #1: C15H12F4N2O3S With sodium hydride In dichloromethane; mineral oil at 20℃; for 1h; Sealed tube; Stage #2: methylbutane With C26H18Ag2B2Br18N12O2 In dichloromethane; mineral oil at 60℃; for 48h; Sealed tube; Inert atmosphere; regioselective reaction;	72%

Isopentane Consensus Reports

Reported in EPA TSCA Inventory.

Isopentane Standards and Recommendations

ACGIH TLV: TWA 600 ppm
DFG MAK: 1000 ppm (3000 mg/m³)
NIOSH REL: (Alkanes) TWA 350 mg/m³
DOT Classification: 3; Label: Flammable Liquid

Isopentane Specification

The Isopentane, with the CAS registry number 78-78-4,is also known as 2-Methylbutane. It belongs to the product categories of Industrial/Fine Chemicals;refrigerants;Organics. Its EINECS number is 201-142-8. This chemical's molecular formula is C₅H₁₂ and molecular weight is 72.15. What's more,Its systematic name is Isopentane. It is a colourless liquid with a characteristic smell. And it can be used as a solvent of polyethylene, also can be made of polystyrene foam, polyurethane foam system, foam, solvent de-asphalting. It is a low toxic, flammable liquids, burning will produce irritation of smoke, need to store in the cold and dry environment, and stored separately with oxidants and acids. dry powder, dry sand, carbon dioxide, foam can be used if something urgent happened.

Physical properties about Isopentane are:
(1)ACD/LogP: 3.099; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.10; (4)ACD/LogD (pH 7.4): 3.10; (5)ACD/BCF (pH 5.5): 133.37; (6)ACD/BCF (pH 7.4): 133.37; (7)ACD/KOC (pH 5.5): 1155.38; (8)ACD/KOC (pH 7.4): 1155.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.369; (13)Molar Refractivity: 25.172 cm³; (14)Molar Volume: 111.446 cm³; (15)Surface Tension: 17.6599998474121 dyne/cm; (16)Density: 0.647 g/cm³; (17)Flash Point: -56.667 °C; (18)Enthalpy of Vaporization: 26.102 kJ/mol; (19)Boiling Point: 26.24 °C at 760 mmHg; (20)Vapour Pressure: 727.116027832031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)CC;
(2)Std. InChI:InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3;
(3)Std. InChIKey:QWTDNUCVQCZILF-UHFFFAOYSA-N.

Safety Information of Isopentane:
The Isopentane is Extremely flammable.So Keep it away from sources of ignition. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So it should be avoided release to the environment. Refer to special instructions / safety data sheets, and take precautionary measures against static discharges. It is Harmful: may cause lung damage if swallowed, and repeated exposure may cause skin dryness or cracking. Its Vapours may cause drowsiness and dizziness. Keep container in a well-ventilated place. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

The toxicity data of Isopentane are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LCLo	inhalation	419gm/m³/2H (419000mg/m³)	BEHAVIORAL: EXCITEMENT	Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.

Product Name

Isopentane

Synthetic route

Isopentane Consensus Reports

Isopentane Standards and Recommendations

Isopentane Specification

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