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Substance Name: Benzyl alcohol, alpha-methyl-p-nitro-, nitrate (ester)
RN: 10061-22-0
InChIKey: QFPAMHKBIYSCKR-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H8-N2-O5

Molecular Weight

  • 212.16
 
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Names and Synonyms

Synonyms

  • 1-(p-Nitrophenyl)ethyl nitrate
  • 1-p-Nitrofenylethylester kyseliny dusicne
  • 1-p-Nitrofenylethylester kyseliny dusicne [Czech]
  • 4-06-00-03056 (Beilstein Handbook Reference)
  • alpha-Methyl-p-nitrobenzyl alcohol nitrate (ester)
  • BRN 2534325
  • RTECS DV6496000

Systematic Name

  • Benzyl alcohol, alpha-methyl-p-nitro-, nitrate (ester)

Registry Numbers

CAS Registry Number

  • 10061-22-0

System Generated Number

  • 0010061220

Structure Descriptors

InChI

1S/C8H8N2O5/c1-6(15-10(13)14)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3

InChIKey

QFPAMHKBIYSCKR-UHFFFAOYSA-N

Smiles

c1([C@@H](O[N+](=O)[O-])C)ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 14100uL/kg (14.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 2140mg/kg (2140mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.