4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid

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Names

[ CAS No. ]:
104233-81-0

[ Name ]:
4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid

Chemical & Physical Properties

[ Density]:
1.58g/cm3

[ Boiling Point ]:
762.1ºC at 760mmHg

[ Molecular Formula ]:
C14H23Cl2NO7P2

[ Molecular Weight ]:
450.18800

[ Flash Point ]:
414.7ºC

[ Exact Mass ]:
449.03300

[ PSA ]:
158.15000

[ LogP ]:
2.29480

[ Vapour Pressure ]:
2.05E-24mmHg at 25°C

[ Index of Refraction ]:
1.617

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ6800000
CHEMICAL NAME :
Phosphonic acid, (4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutyl idene)bis-
CAS REGISTRY NUMBER :
104233-81-0
LAST UPDATED :
199410
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H23-Cl2-N-O7-P2
MOLECULAR WEIGHT :
450.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
146 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
5 mg/plate
REFERENCE :
JCROD7 Journal of Cancer Research and Clinical Oncology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.93- 1979- Volume(issue)/page/year: 111,209,1986

Related Compounds

  • CC(C)(C)[Si](C)(C)OC1(CCC1)C=O
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  • 3,3-Dimethyl-1-(1-methylpiperidin-4-yl)ureahydrochloride
  • 2-Cyclohexyloxy-5-fluoroaniline;hydrochloride
  • N-(4-chloro-1-methyl-7-nitro-1H-indazol-3-yl)-N-(4-methoxybenzyl)methanesulfonamide
  • 7-(Difluoromethyl)-2,2,3,3,6-pentafluoro-2,3-dihydrobenzo[b]thiophene
  • 4-Bromo-3-(difluoromethyl)-2-(methylthio)benzonitrile
  • 2-chloro-N,N-dimethyl-3-nitropyridin-4-amine
  • 3,6-Di-tert-butyl-9-[2-(dicyclohexylphosphino)phenyl]-9H-carbazole
  • (E)-3-(2-Chloropyridin-3-yl)prop-2-enenitrile
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