13233-86-8

13233-86-8 structure
13233-86-8 structure
  • Name: 9-(p-Nitrobenzyl)-9H-purin-6-ol
  • Chemical Name: 9-[(4-nitrophenyl)methyl]-3H-purin-6-one
  • CAS Number: 13233-86-8
  • Molecular Formula: C12H9N5O3
  • Molecular Weight: 271.23200
  • Create Date: 2016-03-20 23:48:30
  • Modify Date: 2024-01-03 22:18:55

Name 9-[(4-nitrophenyl)methyl]-3H-purin-6-one
Synonyms 6-Hydroxy-9-p-nitrobenzylpurine
Density 1.61g/cm3
Boiling Point 592.8ºC at 760 mmHg
Molecular Formula C12H9N5O3
Molecular Weight 271.23200
Flash Point 312.3ºC
Exact Mass 271.07100
PSA 109.39000
LogP 1.59930
Vapour Pressure 5.02E-14mmHg at 25°C
Index of Refraction 1.771

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0787900
CHEMICAL NAME :
9H-Purin-6-ol, 9-(p-nitrobenzyl)-
CAS REGISTRY NUMBER :
13233-86-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-N5-O3
MOLECULAR WEIGHT :
271.26
WISWESSER LINE NOTATION :
T56 BN DN FN HNJ D1R DNW& IQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03812
HS Code 2933990090
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%