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  2. 3218-49-3
3,4-Dichlorophenylacetonitrile | 3218-49-3

Product name:3,4-Dichlorophenylacetonitrile

CAS No:3218-49-3
MF:C8H5NCl2
MW:186.038
MDL:MFCD00001909
CID:43935
PubChem ID:76690
Names and Identifiers
  • 2-(3,4-Dichlorophenyl)acetonitrile
  • 3,4-Dichlorophenyl acetonitrile
  • 3,4-Dichlorobenzyl cyanide
  • Benzeneacetonitrile, 3,4-dichloro- 2-(3,4-DICHLOROPHENYL)ACETONITRILE
  • 3,4-DICHLOROBENZYL CYANIDE 3,4-DCCN
  • 3,4-DICHLOROPHENYLCYANIDE
  • 3,4-dichlorobenzeneacetonitrile
  • m,p-dichlorophenylacetonitrile
  • 3,4-Dichlorophenylacetonitrile
  • D77685
  • 2-(3,4-dichlorophenyl)acetonitrile
  • DTXSID70185959
  • (3,4-dichlorophenyl)-acetonitrile
  • InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H
  • Benzeneacetonitrile, 3,4-dichloro-
  • NSC-111725
  • NS00029232
  • NSC111725
  • PS-4611
  • 3218-49-3
  • EINECS 221-743-9
  • AKOS001141970
  • NSC 111725
  • D1794
  • Benzeneacetonitrile, 3,4-dichloro-
  • 4,4-Dichlorophenylacetonitrile
  • 3,4-dichlorophenyl acetonitrile
  • 3,4-dichloro-phenylacetonitrile
  • (3,4-Dichlorophenyl)acetonitrile
  • SCHEMBL2308
  • EN300-21758
  • STR03683
  • 3,4-dichlorobenzylcyanide
  • AC-2970
  • 3,4-dichlorophenylaceto-nitrile
  • W-106851
  • (3,4-dichloro-phenyl)-acetonitrile
  • AM20061095
  • FT-0614240
  • Z111875426
  • 3,4-Dichlorophenylacetonitrile, 98%
  • A25098
  • MFCD00001909
  • AI3-12074
  • 3,4-dichlorophenyl-acetonitrile
  • CS-W007701
  • MDL:MFCD00001909
  • InChIKey:QWZNCAFWRZZJMA-UHFFFAOYSA-N
  • Inchi:1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
  • SMILES:C1=C(C=CC(=C1Cl)Cl)CC#N
  • BRN:638749
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 184.98000
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 184.98
  • Heavy Atom Count: 11
  • Complexity: 172
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: nothing
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 23.8A^2

Experimental Properties

  • LogP: 3.05948
  • PSA: 23.79000
  • Refractive Index: 1.5690 (estimate)
  • Boiling Point: 171°C/12mmHg(lit.)
  • Melting Point: 39.0 to 42.0 deg-C
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Color/Form: White powder
  • Solubility: Insoluble in water
  • Density: 1.4274 (rough estimate)
Security Information
  • Symbol: GHS06
  • WGK Germany:3
  • Safety Term:6.1
  • Safety Instruction:S26-S37/39-S36/37/39
  • Packing Group:III
  • Packing Group:III
  • Risk Phrases:R20/21/22; R36/37/38
  • Hazard Level:6.1
  • Znak za nevarno blago: Xn Xn
  • Hazardous Material transportation number:3276
  • Hazard Statement:H301+H311+H331-H315-H319
  • Warning Statement:P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
  • Prompt:dangerous
  • Storage Condition:Sealed in dry,Room Temperature
  • PackingGroup:III
  • Hazard Category Code:20/21/22-36/37/38
  • Signal Word:Warning
  • HazardClass:6.1
Customs Data
  • HS CODE:29269095
  • 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%

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