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3-Cyclopropyl-3-oxopropanenitrile

3-Cyclopropyl-3-oxopropanenitrile structure

CAS No:
118431-88-2
Formula:
C6H7NO
Chemical Name:
3-Cyclopropyl-3-oxopropanenitrile
Synonyms:
3-CYCLOPROPYL-3-OXO-PROPIONITRILE;3-Cyclopropyl-3-oxopropanenitrile;Cyclopropanepropanenitrile, β-oxo-;β-oxo-Cyclopropylpropanenitrile;b-Oxo-cyclopropanepropanenitrile;Cyclopropanepropanenitrile, β-oxo-;β-oxo-Cyclopropylpropanenitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Cyclopropyl-3-oxopropanenitrile Basic Attributes

Molecular Weight：

109.13

Exact Mass：

109.052763847

DSSTox ID：

DTXSID90431006

Characteristics

Density：

1.156±0.06 g/cm3

Boiling Point：

124-128 °C(Press: 21 Torr)

PKA：

9.90±0.20

Safety Information

GHS Classification：

|Danger|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-Cyclopropyl-3-oxopropanenitrile Use and Manufacturing

3-cyclopropyl-3-oxopropanenitrile is used in the synthesis of novel 5-amino pyrazole derivatives against carcinogenesis present in breast cancer cell lines. Also aids in the structure based design and s ynthesis of N-pyrazole and N’thiazole urea inhibitors of MAP kinase p38α.

Computed Properties

Molecular Weight:109.13
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:109.052763847
Monoisotopic Mass:109.052763847
Topological Polar Surface Area:40.9
Heavy Atom Count:8
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Cyclopropyl-3-oxopropanenitrile

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3-Cyclopropyl-3-oxopropanenitrile

CAS No.: 118431-88-2

Content: 99.00%

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Jinshu Peptide Co.,Ltd Contact Supplier

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3 YRS

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High quality factory sale best service 3-Cyclopropyl-3 oxopropanenitrile

CAS No.: 118431-88-2

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3-Cyclopropyl-3-oxopropanenitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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