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

Modify Date: 2024-07-18 16:26:54

4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid structure	Common Name	4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
	CAS Number	104233-81-0	Molecular Weight	450.18800
	Density	1.58g/cm3	Boiling Point	762.1ºC at 760mmHg
	Molecular Formula	C₁₄H₂₃Cl₂NO₇P₂	Melting Point	N/A
	MSDS	N/A	Flash Point	414.7ºC

Name	[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphonobutyl]phosphonic acid

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

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

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