Adamantane Impurity 2

Basic Information

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CAS Number

702-77-2

Molecular Formula

C11H17Br

Molecular Weight

229.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

95-97 ºC (4 Torr)

Density

1.403±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

103.7±8.4 ºC,

Solubility

Insuluble (4.8E-3 g/L) (25 ºC),

SMILES

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CC12CC3(Br)CC(C2)CC(C3)C1

InChI

InChI=1S/C11H17Br/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7H2,1H3

InChIKey

MXAYGTASSPYUJB-UHFFFAOYSA-N

LogP

3.7402000000000024

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

1-Bromo-3-methyladamantane
Tricyclo[3.3.1.13,7]decane,1-bromo-3-methyl-
1-bromo methyl-3 adamantane
1-bromo-3-methyl-adamantane
1-Methyl-3-bromadamantan
1-Methyl-3-bromoadamantane
3-BROMO-1-METHYL-ADAMANTANE
3-methyl-1-bromoadamantane
3-Methyl-adamantyl-(1)-bromid
NSC 255329
1-Bromo-3-Methyl Adamantane

MDL Number

MFCD00167799

Customs Code

2903890090

FAQ

What is Adamantane Impurity 2 (CAS: 702-77-2)?

Adamantane Impurity 2 (CAS: 702-77-2) is a byproduct of the synthesis of adamantane, a cyclic hydrocarbon with a carbon skeleton resembling the shape of an octahedron. It typically contains impurities due to incomplete or side reactions during synthesis, and its exact chemical structure may vary. It is characterized by its stable physical properties and low reactivity.

What are the main uses of Adamantane Impurity 2 (CAS: 702-77-2)?

Adamantane Impurity 2 (CAS: 702-77-2) is mainly used in pharmaceutical and chemical research for its structural and physical properties, which can help in the development of new materials and the study of chemical reactions. It is also used as an intermediate in the synthesis of other compounds.

Is Adamantane Impurity 2 (CAS: 702-77-2) safe?

Adamantane Impurity 2 (CAS: 702-77-2) is generally safe when handled properly. However, it should be used with caution and appropriate personal protective equipment (PPE) due to its potential for skin irritation. It is essential to follow all safety guidelines and work in a well-ventilated area.

How should Adamantane Impurity 2 (CAS: 702-77-2) be stored?

Adamantane Impurity 2 (CAS: 702-77-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent loss of material and contamination. Avoid contact with incompatible materials such as strong acids or bases to ensure safety and maintain purity.