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113263 Sigma-Aldrich

1,3-Diisopropylbenzene

96%

Synonym: 3-Isopropylcumene

  • CAS Number 99-62-7

  • Linear Formula C6H4[CH(CH3)2]2

  • Molecular Weight 162.27

  •  Beilstein/REAXYS Number 1905828

  •  EC Number 202-773-1

  •  MDL number MFCD00008889

  •  PubChem Substance ID 24846874

  •  NACRES NA.22

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Properties

Related Categories Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
Quality Level   100
assay   96%
autoignition temp.   840 °F
impurities   <5% 1,2 and 1,4- isomer
refractive index   n20/D 1.488 (lit.)
bp   203 °C (lit.)
mp   −63 °C (lit.)
density   0.856 g/mL at 25 °C (lit.)
SMILES string   CC(C)c1cccc(c1)C(C)C
InChI   1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
InChI key   UNEATYXSUBPPKP-UHFFFAOYSA-N
Gene Information   human ... GABRA1(2554)

Description

General description

1,3-Diisopropylbenzene undergoes anodic oxidation in methanol to yield dimethoxy-functionalized product.

Application

1,3-Diisopropylbenzene was used in the synthesis of benzene-1,3,5-triphosphonic acid.

Packaging

100, 500 g in glass bottle

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 2
RTECS 
CZ6334000
Flash Point(F) 
170.6 °F - closed cup
Flash Point(C) 
77 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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