1-(Hydroxymethyl)cyclopropanecarbonitrile

Basic Information

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CAS Number

98730-77-9

Molecular Formula

C5H7NO

Molecular Weight

86.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

227.9±13.0°C at 760 mmHg

SMILES

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C1CC1(CO)C#N

InChI

InChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h7H,1-2,4H2

InChIKey

QMCQBAJOOAMKBX-UHFFFAOYSA-N

LogP

0.7787999999999999

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

117

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

BB 0260352
1-Hydroxymethyl-cyclopropanecarbonitrile
A845900
Cyclopropanecarbonitrile, 1-(hydroxymethyl)-
l-(hydroxymethyl)cyclopropanecarbonitrile
EX-A8130G
AKOS005172365
1-(hydroxymethyl)-cyclopropanecarbonitrile
1-(hydroxymethyl)cyclopropane-1-carbonitrile
EN300-109460
AMY25833
1-(hydroxymethyl)cyclopropanecarbonitrile
QMCQBAJOOAMKBX-UHFFFAOYSA-N
J-504797
1-cyanocycloprop-1-ylmethanol
CS-D0565
SB83801
SY045943
FT-0679648
98730-77-9
ZB1255
AS-64888
MFCD11042632
DTXSID40621758
1-(Hydroxymethyl)cyclopropanecarbonitrile
WT892
STK506194
RW3633
6923AC
AK116079

MDL Number

MFCD11042632

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9)?

1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9) is a colorless to white crystalline solid with a molecular weight of approximately 129.11 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and chloroform. Chemically, it is stable under normal conditions but can react with strong bases and reducing agents. Its reactivity is typically due to the presence of the nitrile and hydroxymethyl groups.

How is 1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9) typically synthesized?

1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9) can be synthesized through a multi-step process. One common method involves the reaction of cyclopropanecarbonitrile with a hydroxylated compound under basic conditions. Alternatively, it can be produced by the hydrolysis of 1-(cyano(methyl)oxy)cyclopropane followed by amination. The synthesis typically requires careful control of reaction conditions to achieve high yields and selectivity.

What industries use 1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9)?

1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9) is primarily used in the pharmaceutical and polymer industries. In pharmaceuticals, it serves as a precursor for the synthesis of various biologically active molecules. In polymers, it can be used as a monomer for the development of new materials with specific properties. Additionally, it finds application in the production of sensors and semiconductors due to its unique chemical functionality.

What precautions should be taken when handling 1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9)?

When handling 1-(Hydroxymethyl)cyclopropanecarbonitrile (CAS: 98730-77-9), it is essential to follow laboratory safety guidelines. Always wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Store the compound in a cool, well-ventilated area away from direct sunlight and heat sources. Work in a fume hood to minimize exposure. In case of spillage, dispose of the material according to hazardous waste regulations and consult the Safety Data Sheet (SDS) for specific instructions.