Cas no 91591-63-8 (2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile)

2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile structure
91591-63-8 structure
Product Name:2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile
CAS No:91591-63-8
MF:C8H6Cl2N2
MW:201.052639484406
MDL:MFCD00052631
CID:814464
PubChem ID:334852
Update Time:2024-10-26

2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,5-Dichloro-4,6-dimethylnicotinonitrile
    • 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile
    • 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile
    • 3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-
    • 3-Pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-
    • UCGWYTUBYASPFG-UHFFFAOYSA-N
    • 2,5-dichloro-4,6-dimethyl-nicotinonitrile
    • 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
    • NSC341973
    • PubChem20434
    • KSC669Q6F
    • BCP18750
    • DT2114
    • STK724629
    • SBB092706
    • 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile (ACI)
    • 2,5-Dichloro-3-cyano-4,6-dimethylpyridine
    • NSC 341973
    • 2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile
    • W-204063
    • DTXSID50319215
    • AG-205/41147734
    • 3-Pyridinecarbonitrile,5-dichloro-4,6-dimethyl-
    • SCHEMBL8471830
    • NL7PQ926CN
    • CS-0010501
    • NSC-341973
    • 91591-63-8
    • SR-01000533931
    • 2 pound not5-Dichloro-4 pound not6-dimethylnicotinonitrile
    • GS-3527
    • SR-01000533931-1
    • SY017930
    • MFCD00052631
    • J-803059
    • AKOS001751894
    • MDL: MFCD00052631
    • Inchi: 1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
    • InChI Key: UCGWYTUBYASPFG-UHFFFAOYSA-N
    • SMILES: N#CC1C(C)=C(Cl)C(C)=NC=1Cl

Computed Properties

  • Exact Mass: 199.99100
  • Monoisotopic Mass: 199.9908036g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 210
  • 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
  • Topological Polar Surface Area: 36.7
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.36
  • Melting Point: 82-83 oC
  • Boiling Point: 304.6°C at 760 mmHg
  • Flash Point: 138℃
  • PSA: 36.68000
  • LogP: 2.87688

2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile Security Information

2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  1 h, 100 °C
Reference
A structure-activity relationship study of the positive allosteric modulator LY2033298 at the M4 muscarinic acetylcholine receptor
Szabo, Monika; et al, MedChemComm, 2015, 6(11), 1998-2003

Production Method 2

Reaction Conditions
Reference
Herbicidal 5-pyridylcyclohexane-1,3-dione derivatives
, European Patent Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuryl chloride Solvents: Dichloroethane ;  6 h, reflux
2.1 Reagents: Phosphorus oxychloride ;  1 h, 100 °C
Reference
A structure-activity relationship study of the positive allosteric modulator LY2033298 at the M4 muscarinic acetylcholine receptor
Szabo, Monika; et al, MedChemComm, 2015, 6(11), 1998-2003

2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile Raw materials

2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile Preparation Products

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