Cas no 127667-00-9 (2-Chloro-5-methoxybenzonitrile)

2-Chloro-5-methoxybenzonitrile structure
127667-00-9 structure
Product Name:2-Chloro-5-methoxybenzonitrile
CAS No:127667-00-9
MF:C8H6ClNO
MW:167.592340946198
MDL:MFCD08061919
CID:1037506
PubChem ID:14710964
Update Time:2025-04-20

2-Chloro-5-methoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-methoxybenzonitrile
    • 2-Chloro-5-methoxy-benzonitrile
    • Benzonitrile,2-chloro-5-methoxy
    • AKOS006287396
    • AMY14464
    • A21144
    • 127667-00-9
    • AS-33148
    • CS-0099150
    • DTXSID30563259
    • MFCD08061919
    • Benzonitrile, 2-chloro-5-methoxy-
    • DB-104477
    • SCHEMBL10662281
    • SY111321
    • MDL： MFCD08061919
    • Inchi： 1S/C8H6ClNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
    • InChI Key： XRFLIOTUXVHNIB-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1C#N)OC

Computed Properties

  • Exact Mass: 167.01400
  • Monoisotopic Mass: 167.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 2
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.25±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 82-84 oC (isopropyl ether )
  • Boiling Point: 165-170 oC
  • Flash Point: 115.4±23.2 oC,
  • Solubility: Very slightly soluble (0.17 g/l) (25 o C),
  • PSA: 33.02000
  • LogP: 2.22028

2-Chloro-5-methoxybenzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Chloro-5-methoxybenzonitrile Pricemore >>

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