1,1,3,3,5-Pentamethyl-4,6-dinitroindane

Basic Information

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CAS Number

116-66-5

Molecular Formula

C14H18N2O4

Molecular Weight

278.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

421.12°C (rough estimate)

Flash Point

2 °C

Refractive Index

1.5500 (estimate)

SMILES

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CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3

InChIKey

UHWURQRPEIFIAK-UHFFFAOYSA-N

LogP

4.81670

Complexity

435

Synonyms & References

English

CHEMBL3188408
NS00007398
1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene
J-003468
UNII-1Q49IC9FAW
BP-10214
4,6-Dinitro-1,1,3,3,5-pentamethylindan
UHWURQRPEIFIAK-UHFFFAOYSA-N
SCHEMBL651789
1,3,3,5-Pentamethyl-4,6-dinitroindan
Indan,1,3,3,5-pentamethyl-4,6-dinitro-
DTXSID6044519
CS-0204281
1Q49IC9FAW
CCRIS 7622
CCG-50813
CAS-116-66-5
116-66-5
4-05-00-01463 (Beilstein Handbook Reference)
DTXCID4024519
AKOS024319064
1,1,3,3,5-Pentamethyl-4,6-dinitroindan
EINECS 204-149-4
NCGC00255930-01
1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
Indan, 1,1,3,3,5-pentamethyl-4,6-dinitro-
Oprea1_114805
NSC60035
1H-Indene,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
4,6-Dinitro-1,1,3,3,5-pentamethylindane
Maybridge1_007103

MDL Number

MFCD00021242

Customs Code

2914700090

FAQ

What is 1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5)?

1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5) is an organic compound featuring a dinitro group and five methyl substituents. It is a yellow crystalline solid with a melting point of 120-122°C and a density of 1.67 g/cm³. This compound is highly reactive and used primarily in the synthesis of other organic compounds and as an intermediate in pharmaceutical and industrial applications.

What are the main uses of 1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5)?

1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5) is mainly used as an intermediate in the synthesis of various organic compounds, including pharmaceuticals and dyes. It serves as a key building block in chemical reactions due to its stable nitro groups and methyl substituents, facilitating the modification of other molecules for further processing.

Is 1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5) safe?

1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5) is not considered safe for general use without proper protective measures. It is highly reactive and can be toxic if ingested or inhaled. Proper handling, including the use of gloves, goggles, and a fume hood, is essential. Inhalation of dust or fumes should be avoided, and the compound should be stored in a well-ventilated area away from heat and ignition sources.

How should 1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5) be stored?

1,1,3,3,5-Pentamethyl-4,6-dinitroindane (CAS: 116-66-5) should be stored in a cool, dry place at room temperature (15-25°C) away from heat and ignition sources. It should be kept in a tightly sealed container to prevent exposure to air and light. The container should be clearly labeled and stored in a well-ventilated area to minimize the risk of fire and explosion. Avoid contact with water and incompatible substances such as reducing agents and acids.