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Substance Name: o-Toluenesulfonyl chloride, 5-nitro-
RN: 121-02-8
InChIKey: WPGVQDHXOUAJBW-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H6-Cl-N-O4-S

Molecular Weight

  • 235.646
 
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Names and Synonyms

Synonyms

  • 2-Methyl-5-nitrobenzenesulfonyl chloride
  • 4-11-00-00236 (Beilstein Handbook Reference)
  • 4-Nitrotoluen-2-sulfochlorid
  • 4-Nitrotoluen-2-sulfochlorid [Czech]
  • 4-Nitrotoluen-2-sulfonylchlorid
  • 4-Nitrotoluen-2-sulfonylchlorid [Czech]
  • 5-Nitro-o-toluenesulfonyl chloride
  • Benzenesulfonyl chloride, 2-methyl-5-nitro-
  • BRN 2697079
  • EINECS 204-444-8
  • NSC 49752

Systematic Names

  • 4-Nitrotoluene-2-sulphonyl chloride
  • Benzenesulfonyl chloride, 2-methyl-5-nitro- (9CI)
  • o-Toluenesulfonyl chloride, 5-nitro-

Registry Numbers

CAS Registry Number

  • 121-02-8

System Generated Number

  • 0000121028

Structure Descriptors

InChI

1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3

InChIKey

WPGVQDHXOUAJBW-UHFFFAOYSA-N

Smiles

c1(cc(ccc1C)[N+](=O)[O-])S(=O)(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 7470mg/kg (7470mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1072, 1986.