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Substance Name: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester
RN: 13290-96-5
InChIKey: GGTSJKFPGKFLCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O6

Molecular Weight

  • 239.182
 
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Names and Synonyms

Synonyms

  • 4-09-00-03299 (Beilstein Handbook Reference)
  • 5-Nitroisophthalic acid, dimethyl ester
  • BRN 2140916
  • Dimethyl 5-nitro-1,3-benzenedicarboxylate
  • Dimethyl 5-nitroisophthalate
  • EC 236-307-3
  • EINECS 236-307-3
  • NSC 93786

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester
  • Dimethyl 5-nitroisophthalate
  • Isophthalic acid, 5-nitro-, dimethyl ester (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 13290-96-5

System Generated Number

  • 0013290965

Structure Descriptors

InChI

1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3

InChIKey

GGTSJKFPGKFLCZ-UHFFFAOYSA-N

Smiles

O=C(OC)c1cc([N+]([O-])=O)cc(C(=O)OC)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 10gm/kg (10000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 55, 1984.