Cas no 20098-48-0 (1,2,3-trichloro-5-nitrobenzene)

1,2,3-trichloro-5-nitrobenzene structure
20098-48-0 structure
Product Name:1,2,3-trichloro-5-nitrobenzene
CAS No:20098-48-0
MF:C6H2Cl3NO2
MW:226.444578647614
MDL:MFCD00061096
CID:51466
PubChem ID:88365
Update Time:2025-04-18

1,2,3-trichloro-5-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Trichloro-5-nitrobenzene
    • 3,4,5-Trichloronitrobenzene
    • 1,2,3-chloro-5-nitrobenzene
    • 1,2,3-trichloro-5-nitro-benzene
    • 1,2,6-trichloro-4-nitrobenzene
    • 3,4,5-trichloro-1-nitrobenzene
    • 5-Nitro-1,2,3-trichlorobenzene
    • Benzene,1,2,3-trichloro-5-nitro
    • EINECS 243-511-6
    • Benzene, 1,2,3-trichloro-5-nitro-
    • AH0CU8672K
    • HHLCSFGOTLUREE-UHFFFAOYSA-N
    • NSC523881
    • PubChem3717
    • 3,5-Trichloronitrobenzene
    • DSSTox_CID_6205
    • DSSTox_RID_78057
    • DSSTox_GSID_26205
    • KSC543E7L
    • Jsp004107
    • 3,4,5-trichloro-1-nitroben
    • 1,2,3-Trichloro-5-nitrobenzene, 96%
    • EN300-127167
    • NSC-523881
    • NSC 523881
    • NCGC00091289-02
    • DTXCID006205
    • NCGC00091289-01
    • T1580
    • CAS-20098-48-0
    • CHEMBL1443813
    • F21347
    • PS-10354
    • AKOS015890186
    • NCGC00258258-01
    • FT-0606224
    • NS00026518
    • Q27273918
    • TRICHLORONITROBENZENE, 3,4,5-
    • 3,4,5-Trichloro Nitro Benzene
    • 20098-48-0
    • SY059034
    • SCHEMBL635165
    • 1,2,3-Trichloro-5-nitrobenzene #
    • Tox21_200704
    • Benzene,2,3-trichloro-5-nitro-
    • MFCD00061096
    • UNII-AH0CU8672K
    • DTXSID5026205
    • InChI=1/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2
    • BCP06892
    • W-107651
    • CS-0127963
    • BENZENE, 1,2,3-TRICHLORO-5-NITRO
    • STL481334
    • 1,2,3-Trichloro-5-nitrobenzene; 3,4,5-Trichloronitrobenzene; NSC 523881
    • DB-045086
    • 3,4,5-Trichloronitrobenzene;1,2,3-Trichloro-5-nitrobenzene
    • 1,2,3-trichloro-5-nitrobenzene
    • MDL: MFCD00061096
    • Inchi: 1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
    • InChI Key: HHLCSFGOTLUREE-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=C(C=1)[N+](=O)[O-])Cl)Cl
    • BRN: 2505480

Computed Properties

  • Exact Mass: 224.91500
  • Monoisotopic Mass: 224.915
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 172
  • 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: 3.9
  • Topological Polar Surface Area: 45.8
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.8070
  • Melting Point: 68.0 to 73.0 deg-C
  • Boiling Point: 288°C (rough estimate)
  • Flash Point: 125.6 °C
  • Refractive Index: 1.6300 (estimate)
  • Water Partition Coefficient: <0.1 g/100 mL at 15 oC
  • PSA: 45.82000
  • LogP: 4.07820
  • Solubility: <0.1 g/100 mL at 15 oC

1,2,3-trichloro-5-nitrobenzene Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264-P270-P301+P312+P330-P501
  • Hazardous Material transportation number:2811
  • WGK Germany:3
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S36/37/39-S36/37
  • Hazardous Material Identification: Xn
  • Packing Group:III
  • Hazard Level:6.1
  • Risk Phrases:R20/21/22
  • Packing Group:III
  • Safety Term:6.1
  • HazardClass:6.1
  • PackingGroup:III
  • Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.

1,2,3-trichloro-5-nitrobenzene Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1,2,3-trichloro-5-nitrobenzene Pricemore >>

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