1,3-Dibromoadamantane

Basic Information

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CAS Number

876-53-9

Molecular Formula

C10H14Br2

Molecular Weight

294.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

108-110 °C

Boiling Point

287.6°C at 760 mmHg

Density

1.864

Flash Point

145.4 °C

Refractive Index

1.651

SMILES

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BrC12CC3(Br)CC(C2)CC(C3)C1

InChI

InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2/t7-,8+,9+,10-

InChIKey

HLWZKLMEOVIWRK-FIRGSJFUSA-N

LogP

3.867600000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

190

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1,3-Dibromoadamantane
Dibromoadamantane
1,3-Dibrom-adamantan
1,3-dibromo-adamantane
3-dibromo adamantane
Adamantane,3-dibromo
Tricyclo[3.3.1.13,7]decane, 1,3-dibromo-
1,3-Dibromo adamantane
1,3-Dibromotricyclo[3.3.1.1(3,7)]decane
HLWZKLMEOVIWRK-UHFFFAOYSA-N
NSC102289
Adamantane,3-dibromo-
PubChem20513
Maybridge1_002445
NCIOpen2_007028
1,3-bis(bromanyl)adamantane
KSC658Q2D
DivK1c_001197
HMS548H03
EBD3122
1,3-dibromoadamantane
1,3-Dibromotricyclo[3.3.1.13,7]decane (ACI)
Adamantane, 1,3-dibromo- (6CI, 7CI, 8CI)
1,3-Bromoadamantane
NSC 102289
(1s,3s,5s,7s)-1,3-dibromoadamantane

MDL Number

MFCD00077218

Customs Code

2903890090

FAQ

What is 1,3-Dibromoadamantane (CAS: 876-53-9)?

1,3-Dibromoadamantane is a brominated derivative of adamantane with the chemical formula C10H16Br2. It is a crystalline solid known for its high thermal stability and unique cage-like molecular structure. This compound exhibits low solubility in water and is commonly used in chemical research for its structural versatility and reactivity in organic synthesis.

What are the main uses of 1,3-Dibromoadamantane (CAS: 876-53-9)?

1,3-Dibromoadamantane is primarily used in pharmaceutical research as a building block for the development of new drugs. It also finds applications in industrial chemistry for the synthesis of complex organic compounds and in materials science for creating functionalized polymers. Its unique properties make it valuable in research involving molecular frameworks and chemical modifications.

Is 1,3-Dibromoadamantane (CAS: 876-53-9) safe?

1,3-Dibromoadamantane is considered hazardous due to its potential toxicity. It should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Safety standards recommend avoiding inhalation, ingestion, and skin contact. It is important to follow proper disposal protocols to ensure environmental safety.

How should 1,3-Dibromoadamantane (CAS: 876-53-9) be stored?

1,3-Dibromoadamantane should be stored in a cool, dry, and well-ventilated area away from direct light. It is best kept in a sealed container made of inert material such as glass or stainless steel to prevent contamination and degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.