1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one

Basic Information

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CAS Number

52099-72-6

Molecular Formula

C10H10N2O

Molecular Weight

174.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

121-125 °C

Boiling Point

305.17°C (rough estimate)

Density

1.1455 (rough estimate)

Refractive Index

1.6300 (estimate)

SMILES

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CC(=C)N1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13)

InChIKey

XFASJWLBXHWUMW-UHFFFAOYSA-N

LogP

1.8201999999999998

Topological Polar Surface Area

37.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

249

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

HMS2315C17
NSC 280600
BB 0219701
1-(1-methylvinyl)benzimidazolin-2-one
ZD63KF82QK
AKOS000275585
N-Isopropenyl-2-benzimidazolone
BCP12273
J-503608
NSC-280600
1-isopropenyl-2,3-dihydro-benzimidazol-2-one
CHEMBL1379986
PD014308
SMR000034080
1-Isopropenyl-1H-1,3-benzimidazol-2(3H)-one
EINECS 257-661-5
DTXSID90200092
AKOS005690641
1-Isopropenyl-2-benzimidazolidinone
F16021
EN300-235800
NSC280600
1-(1-methylvinyl)-3-hydrobenzimidazol-2-one
MLS000038233
1 pound not3-Dihydro-1-(1-methylethenyl)-2H-benzimidazole-2-one
FT-0607975
3-Isopropenyl-2(3H)-benzimidazolone
1Z-0600
1-(prop-1-en-2-yl)-3H-1,3-benzodiazol-2-one
SCHEMBL14495652
1-isopropenylbenzimidazolone

MDL Number

MFCD00218253

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6)?

1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6) is a solid with a crystalline form. Its molecular weight is approximately 218.25 g/mol. The compound is slightly soluble in water and organic solvents like ethanol and acetone. It is stable under normal conditions but can undergo photolysis. It reacts with nucleophiles and can form imine derivatives under mild conditions.

How is 1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6) typically synthesized?

1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one can be synthesized via the condensation of 2-benzimidazolone with isopropenyl alcohol. This reaction typically involves the use of a base like sodium hydride as a catalyst. The yield is around 70-80%, and the reaction is selective for the formation of the 1-isopropenyl derivative.

What industries use 1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6)?

1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for modifying properties of polymers and in the semiconductor industry for use in photoresists and other components. Additionally, it can be used in the development of sensors due to its reactivity with various functional groups.

What precautions should be taken when handling 1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6)?

When handling 1-Isopropenyl-1,3-dihydro-2H-benzimidazol-2-one (CAS: 52099-72-6), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be handled in a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.