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1,3-Diisopropenylbenzene
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Name

1,3-Diisopropenylbenzene

 EINECS N/A
CAS No. 3748-13-8 Density 0.873g/cm3
PSA 0.00000 LogP 3.75280
Solubility 5.6mg/L at 25℃ Melting Point -40 °C
Formula C12H14 Boiling Point 231°Cat760mmHg
Molecular Weight 158.243 Flash Point 91.1°C
Transport Information N/A Appearance N/A
Safety Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes 36/37/38-50/53
Molecular Structure Molecular Structure of 3748-13-8 (1,3-Diisopropenylbenzene) Hazard Symbols
Synonyms

Benzene,m-diisopropenyl- (6CI,7CI,8CI); 1,3-Bis(1-methylethenyl)benzene;1,3-Diisopropenylbenzene; m-Bis(1-methylvinyl)benzene; m-Diisopropenylbenzene

Article Data 8

1,3-Diisopropenylbenzene Synthetic route

6781-42-6

1,3-diacetylbenzene

1779-49-3

Methyltriphenylphosphonium bromide

3748-13-8

1,3-bis(1-methylethenyl)-benzene

Conditions
ConditionsYield
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere;
Stage #2: 1,3-diacetylbenzene In tetrahydrofuran at 0 - 20℃; Inert atmosphere;		68%

C18H25ClO4PdS2

A

3748-13-8

1,3-bis(1-methylethenyl)-benzene

[Pd(μ-methyl thioglycolate(-1H))2]8

Conditions
ConditionsYield
In diethyl ether; [D3]acetonitrile; water at 90℃; for 10h; Inert atmosphere; Schlenk technique;A 6%
B 65%
poly(methacrylic acid 1,3-phenylenebis(1-methylethylidene) ester)

poly(methacrylic acid 1,3-phenylenebis(1-methylethylidene) ester)

A

poly(methacrylic acid) Mw=18000, PDI=3.5

poly(methacrylic acid) Mw=18000, PDI=3.5

B

3748-13-8

1,3-bis(1-methylethenyl)-benzene

Conditions
ConditionsYield
at 180℃; for 0.166667h; Product distribution; Further Variations:; Temperatures; with or without irradiation;
1999-85-5

1,3-bis(1',1'-dimethylhydroxymethyl)benzene

3748-13-8

1,3-bis(1-methylethenyl)-benzene

Conditions
ConditionsYield
sulfuric acid In 4-methyl-2-pentanone at 90℃; under 760.051 Torr; for 0.666667h; Product distribution / selectivity;
67-56-1

methanol

201230-82-2

carbon monoxide

3748-13-8

1,3-bis(1-methylethenyl)-benzene

dimethyl 3,3'-(1,3-phenylene)dibutyrate

Conditions
ConditionsYield
With 1,3-bis(tert-butyl(pyridin-2-yl)phosphanyl)propane; palladium(II) acetylacetonate; toluene-4-sulfonic acid for 20h; Sealed tube; Inert atmosphere; Autoclave;99%
With platinum(II) bis(acetylacetonate); C28H36P2; toluene-4-sulfonic acid at 120℃; under 30402 Torr; for 20h; Sealed tube; Inert atmosphere; Autoclave;86%
201230-82-2

carbon monoxide

3748-13-8

1,3-bis(1-methylethenyl)-benzene

3,3'-(1,3-phenylene)dibutyric acid

Conditions
ConditionsYield
With sulfuric acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; palladium(II) acetylacetonate; acetic acid at 20 - 100℃; under 30003 Torr; for 20h; Inert atmosphere; Autoclave;99%
3748-13-8

1,3-bis(1-methylethenyl)-benzene

401515-97-7

2-pyridylmethyl formate

3-(3-isopropenyl-phenyl)-butyric acid pyridin-2-ylmethyl ester

Conditions
ConditionsYield
With dodecacarbonyl-triangulo-triruthenium In tetrahydrofuran at 135℃; for 12h;91%
With tetra-(n-butyl)ammonium iodide; dodecacarbonyl-triangulo-triruthenium In tetrahydrofuran at 90℃; for 12h;85%
3748-13-8

1,3-bis(1-methylethenyl)-benzene

1,3-bis(1-azido-2-chloropropan-2-yl)benzene

Conditions
ConditionsYield
With chlorine azide In water; toluene at 20℃; for 0.0188889h; Flow reactor;91%
3748-13-8

1,3-bis(1-methylethenyl)-benzene

99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In dichloromethane under 3750.38 Torr; for 19h;88%
3748-13-8

1,3-bis(1-methylethenyl)-benzene

670-54-2

ethenetetracarbonitrile

134782-06-2

1,1,2,2,5,5,6,6-Octacyano-1,1a,2,3,5a,5,6,7-octahydro-4,8-dimethylphenanthrene

Conditions
ConditionsYield
In acetonitrile at 28℃; for 1h;87%

1,3-Diisopropenylbenzene Chemical Properties

IUPAC Name: 1,3-Bis(prop-1-en-2-yl)benzene
The MF of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8) is C12H14.

                             
The MW of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8) is 158.24.
Synonyms of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8): 1,3-Bis(1-methylethenyl)benzene ; Benzene, 1,3-bis(1-methylethenyl)- ; Benzene, m-diisopropenyl-  
Product Categories: Fluorenes, etc. (reagent for high-performance polymer research);Functional Materials;Reagent for High-Performance Polymer Research
Index of Refraction: 1.515  
EINECS: 223-146-9
Density: 0.873 g/ml 
Flash Point: 91.1 °C
Boiling Point: 231 °C

1,3-Diisopropenylbenzene Uses

 1,3-Diisopropenylbenzene (CAS NO.3748-13-8) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development.

1,3-Diisopropenylbenzene Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.
rat LD50 oral > 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 44, 1990.

1,3-Diisopropenylbenzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Diisopropenylbenzene Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.Safety information of 1,3-Diisopropenylbenzene (CAS NO.3748-13-8):
Hazard Codes  IrritantXi,DangerousN
Risk Statements 
36/37/38 Irritating to eyes, respiratory system and skin
50/53 Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements 
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
61 Avoid release to the environment. Refer to special instructions safety data sheet
60 This material and/or its container must be disposed of as hazardous waste
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  CY8535000

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