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Substance Name: Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)
RN: 57695-35-9
InChIKey: FGKVTGJLHJQSAW-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N-O3.C6-H13-N

Molecular Weight

  • 238.285
 
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Names and Synonyms

Synonyms

  • 2-Nitrophenol compd. with hexahydro-1H-azepine (1:1)
  • o-Nitrophenolate hexamethylenimine

Systematic Name

  • Phenol, 2-nitro-, compd. with hexahydro-1H-azepine (1:1)

Registry Numbers

CAS Registry Number

  • 57695-35-9

System Generated Number

  • 0057695359

Molecular Formulas

Molecular Formula

  • C6-H5-N-O3.C6-H13-N

Molecular Formula Fragments

  • C6-H13-N
  • C6-H5-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C6H5NO3.C6H13N/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-7-5-3-1/h1-4,8H;7H,1-6H2

InChIKey

FGKVTGJLHJQSAW-UHFFFAOYSA-N

Smiles

N1CCCCCC1.c1(c(cccc1)[N+](=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 7640mg/kg (7640mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986.