Cas no 37531-36-5 (Benzoic acid,3-nitro-4-(phenylthio)-)

Benzoic acid,3-nitro-4-(phenylthio)- structure
37531-36-5 structure
Product Name:Benzoic acid,3-nitro-4-(phenylthio)-
CAS No:37531-36-5
MF:C13H9NO4S
MW:275.279862165451
CID:314632
PubChem ID:1475010
Update Time:2025-09-22

Benzoic acid,3-nitro-4-(phenylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-nitro-4-(phenylthio)-
    • 3-nitro-4-(phenylthio)benzoic acid
    • 3-nitro-4-phenylsulfanylbenzoic acid
    • 3-NITRO-4-(PHENYLTHIO)BENZOICACID
    • DTXSID40363060
    • AKOS000215378
    • CS-0221048
    • Oprea1_321853
    • Z55983344
    • 3-nitro-4-(phenylsulfanyl)benzoic acid
    • 11N-670S
    • 37531-36-5
    • EN300-08227
    • SCHEMBL10650251
    • G32352
    • MDL: MFCD01568962
    • Inchi: 1S/C13H9NO4S/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)
    • InChI Key: RSPUPFIRVICSIZ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)C1C=CC(C(=O)O)=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 275.02527
  • Monoisotopic Mass: 274.017403
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 333
  • 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: 111
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.47
  • Boiling Point: 450.4°Cat760mmHg
  • Flash Point: 226.2°C
  • Refractive Index: 1.695
  • PSA: 80.44

Benzoic acid,3-nitro-4-(phenylthio)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1291718-100mg
3-Nitro-4-(phenylsulfanyl)benzoic acid
37531-36-5 97%
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¥1450.00 2024-05-16
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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¥5200.00 2024-05-16
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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1291718-10g
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SHENG KE LU SI SHENG WU JI SHU
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SHENG KE LU SI SHENG WU JI SHU
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3-nitro-4-(phenylthio)benzoic acid,
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Aaron
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