Cas no 25570-03-0 (Butanenitrile,2-methyl-, (2S)-)

Butanenitrile,2-methyl-, (2S)- structure
25570-03-0 structure
Product Name:Butanenitrile,2-methyl-, (2S)-
CAS No:25570-03-0
MF:C5H9N
MW:83.1316611766815
MDL:MFCD00063013
CID:242027
PubChem ID:24854861
Update Time:2025-04-19

Butanenitrile,2-methyl-, (2S)- Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile,2-methyl-, (2S)-
    • (2S)-2-Methylbutanenitrile
    • (S)-(+)-2-Methylbutyronitrile
    • (+)-(S)-2-methylbutane nitrile
    • (S)-2-methylbutanenitrile
    • (S)-2-Methyl-butyronitril
    • (S)-2-methylbutyronitrile
    • (S)-2-methyl-butyronitrile
    • 247308_ALDRICH
    • AC1LD4EM
    • CTK4F6060
    • I14-45288
    • (S)-2-cyanobutane
    • (S)-(+)-2-Methylbutyronitrile, 98%
    • GV2WA95CCL
    • MFCD00063013
    • (2S)-methylbutyronitrile
    • starbld0009759
    • J-016049
    • UNII-GV2WA95CCL
    • AKOS015913741
    • (2S)-methylbutanenitrile
    • 2-Methylbutyronitrile, (S)-
    • CHEBI:134630
    • 25570-03-0
    • (2S)-2-methylbutyronitrile
    • Butanenitrile, 2-methyl-, (2S)-
    • Butyronitrile, 2-methyl-, (S)-(+)-
    • (2S)-2-cyanobutane
    • s-(+)-2-methylbutyronitrile
    • Butanenitrile, 2-methyl-, (S)-
    • 1,1-Dibenzyl-4,4-bipyridiniumdichloride
    • DTXSID101311237
    • DB-067423
    • MDL: MFCD00063013
    • Inchi: 1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m0/s1
    • InChI Key: RCEJCSULJQNRQQ-YFKPBYRVSA-N
    • SMILES: N#C[C@@H](C)CC

Computed Properties

  • Exact Mass: 83.07357
  • Monoisotopic Mass: 83.073499291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 67.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.786?g/mL?at 25?°C(lit.)
  • Melting Point: -60.33°C (estimate)
  • Boiling Point: 125-126?°C(lit.)
  • Flash Point: Fahrenheit: 75.2 ° f
    Celsius: 24 ° c
  • Refractive Index: n20/D 1.39(lit.)
  • PSA: 23.79
  • Solubility: Not available
  • Optical Activity: [α]20/D +31°, neat

Butanenitrile,2-methyl-, (2S)- Security Information

  • Symbol: GHS02 GHS07
  • Signal Word:Warning
  • Hazard Statement: H226-H302 + H312 + H332
  • Warning Statement: P280
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-20/21/22
  • Safety Instruction: 16-36
  • Hazardous Material Identification: Xn
  • Risk Phrases:10-20/21/22
  • Packing Group:III
  • Hazard Level:3.2
  • HazardClass:3.2
  • PackingGroup:III
  • Storage Condition:2-8°C

Butanenitrile,2-methyl-, (2S)- Pricemore >>

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