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

  • 2-(Hydroxymethyl)-6-(trifluoromethyl)benzonitrile
  • 4-(Benzyloxy)-2-fluoro-5-nitrobenzaldehyde
  • Methyl 3-cyano-6-cyclopentyl-1,2-dihydro-2-oxo-4-pyridinecarboxylate
  • N-((1-(2-methylpyridin-4-yl)piperidin-4-yl)methyl)-2-phenylethanesulfonamide
  • 1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-benzhydrylurea
  • 4-fluoro-3-methyl-N-((1-(2-methylpyridin-4-yl)piperidin-4-yl)methyl)benzenesulfonamide
  • 3-chloro-4-methoxy-N-((1-(2-methylpyridin-4-yl)piperidin-4-yl)methyl)benzenesulfonamide
  • Benzyl 5-amino-2-(benzyloxy)benzoate
  • 1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(thiophen-2-ylmethyl)urea
  • N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)benzenesulfonamide
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