2-Methylglutaronitrile - CAS 4553-62-2
Catalog: |
BB025923 |
Product Name: |
2-Methylglutaronitrile |
CAS: |
4553-62-2 |
Synonyms: |
2-methylpentanedinitrile |
IUPAC Name: | 2-methylpentanedinitrile |
Description: | 2-Methylglutaronitrile (CAS# 4553-62-2 ) is a useful research chemical. |
Molecular Weight: | 108.14 |
Molecular Formula: | C6H8N2 |
Canonical SMILES: | CC(CCC#N)C#N |
InChI: | InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3 |
InChI Key: | FPPLREPCQJZDAQ-UHFFFAOYSA-N |
Boiling Point: | 274 °C |
Flash Point: | 259 °F |
Density: | 0.95 g/cm3 |
Solubility: | Water : Soluble |
Appearance: | Amber liquid. |
LogP: | 1.44986 |
Vapor Pressure: | 0.0051 [mmHg] |
GHS Hazard Statement: | H301+H311 (95%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] |
Precautionary Statement: | P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113416152-A | Method for preparing adiponitrile by reacting linear C5 monoalkene nitrile with hydrogen cyanide | 20210802 |
CN-113372239-A | Method for preparing C5 monoalkene nitrile by reacting 1, 3-butadiene with hydrogen cyanide | 20210721 |
CN-113416140-A | Method for preparing 2-methyl pentanediamine | 20210603 |
CN-113188133-A | Contain organic waste liquid resource environmental protection processing system of high nitrogen phosphorus-containing adiponitrile of salt | 20210528 |
CN-113188134-A | Gasification incineration boiler for organic waste liquid containing heavy metals, metal salts and phosphorus and high nitrogen | 20210528 |
PMID | Publication Date | Title | Journal |
20725724 | 20110101 | A nitrilase from a metagenomic library acts regioselectively on aliphatic dinitriles | Applied microbiology and biotechnology |
15287980 | 20040101 | POSaM: a fast, flexible, open-source, inkjet oligonucleotide synthesizer and microarrayer | Genome biology |
12816395 | 20030501 | Inhalation toxicity of methylglutaronitrile in rats | Drug and chemical toxicology |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 108.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 108.068748264 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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