Benzoic acid, 4-[[[4-[[bis (1-aziridinyl)phosphinyl]oxy]phenoxy]carbonyl]amino]-, methyl ester

Modify Date: 2025-09-19 16:50:46

Benzoic acid, 4-[[[4-[[bis (1-aziridinyl)phosphinyl]oxy]phenoxy]carbonyl]amino]-, methyl ester structure	Common Name	Benzoic acid, 4-[[[4-[[bis (1-aziridinyl)phosphinyl]oxy]phenoxy]carbonyl]amino]-, methyl ester
	CAS Number	41920-57-4	Molecular Weight	417.35200
	Density	1.46g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₉H₂₀N₃O₆P--	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	methyl 4-[[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]carbonylamino]benzoate

Density	1.46g/cm3
Molecular Formula	C₁₉H₂₀N₃O₆P--
Molecular Weight	417.35200
Exact Mass	417.10900
PSA	116.53000
LogP	3.15100
Index of Refraction	1.647
InChIKey	PUGINGMEBRJXLW-UHFFFAOYSA-N
SMILES	COC(=O)c1ccc(NC(=O)Oc2ccc(OP(=O)(N3CC3)N3CC3)cc2)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH2640000

CHEMICAL NAME :: Benzoic acid, p-(4-hydroxyphenoxycarbonylamino)-, methyl ester, ester with bis(1- aziridinyl)phosphinate

CAS REGISTRY NUMBER :: 41920-57-4

BEILSTEIN REFERENCE NO. :: 1609626

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H20-N3-O6-P

MOLECULAR WEIGHT :: 417.39

WISWESSER LINE NOTATION :: T3NTJ APO&OR DOVMR DVO1&&- AT3NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1002 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,391,1973

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