Cas no 1006955-98-1 (2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile)

2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile structure
1006955-98-1 structure
Product Name:2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile
CAS No:1006955-98-1
MF:C6H6N4O2
MW:166.13744020462
MDL:MFCD04969690
CID:2113720
PubChem ID:19620685
Update Time:2025-04-21

2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-4-nitro-1H-Pyrazole-1-acetonitrile
    • (3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile
    • 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile
    • AKOS000309947
    • 1006955-98-1
    • 2-(3-methyl-4-nitropyrazol-1-yl)acetonitrile
    • BBL040961
    • CS-0440209
    • STL414459
    • SYQCRWHYOCTRFX-UHFFFAOYSA-N
    • SCHEMBL14801791
    • EN300-229457
    • DA-23356
    • (3-METHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL CYANIDE
    • MDL： MFCD04969690
    • Inchi： 1S/C6H6N4O2/c1-5-6(10(11)12)4-9(8-5)3-2-7/h4H,3H2,1H3
    • InChI Key： SYQCRWHYOCTRFX-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CN(CC#N)N=C1C)=O

Computed Properties

  • Exact Mass: 166.04907545Da
  • Monoisotopic Mass: 166.04907545Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 227
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 87.4?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 341.8±32.0 °C at 760 mmHg
  • Flash Point: 160.5±25.1 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile Security Information

2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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 1006955-98-1 95%
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Enamine
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Enamine
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Enamine
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 1006955-98-1 95%
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Enamine
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Enamine
EN300-229457-1g
2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile
 1006955-98-1
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 $482.0 2023-09-15
Enamine
EN300-229457-5g
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 1006955-98-1
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 $1279.0 2023-09-15

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