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28613-21-0

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Basic Information
CAS No.: 28613-21-0
Name: CARBAMIC ACID, (BIS(1-AZIRIDINYL)PHOSPHINYL-, 1,2,3-PROPANETRIYL ESTER
Molecular Structure:
Molecular Structure of 28613-21-0 (CARBAMIC ACID, (BIS(1-AZIRIDINYL)PHOSPHINYL-, 1,2,3-PROPANETRIYL ESTER)
Formula: C18H32 N9 O9 P3
Molecular Weight: 611.50
Synonyms: Glycerol,tris[[bis(1-aziridinyl)phosphinyl]carbamate] (8CI)
Density: 1.7g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of POx and NOx.
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  • Carbamic acid,[bis(1-aziridinyl)phosphinyl]-, 1,2,3-propanetriyl ester (8CI,9CI)

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    28613-21-0

    Carbamic acid,[bis(1-aziridinyl)phosphinyl]-, 1,2,3-propanetriyl ester (8CI,9CI)

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

IUPAC Name: 1,3-bis[bis(Aziridin-1-yl)phosphorylcarbamoyloxy]propan-2-yl N-[bis(aziridin-1-yl)phosphoryl]carbamate
Synonyms of Carbamic acid, (bis(1-aziridinyl)phosphinyl)-, 1,2,3-propanetriyl ester (CAS NO.28613-21-0): 1,2,3-Propanetriyl (bis(1-aziridinyl)phosphinyl)carbamate
InChI: InChI=1/C18H32N9O9P3/c28-16(19-37(31,22-1-2-22)23-3-4-23)34-13-15(36-18(30)21-39(33,26-9-10-26)27-11-12-27)14-35-17(29)20-38(32,24-5-6-24)25-7-8-25/h15H,1-14H2,(H,19,28,31)(H,20,29,32)(H,21,30,33)
InChIKey: PNMGXUKOVGRSIA-UHFFFAOYAU
Std. InChI: InChI=1S/C18H32N9O9P3/c28-16(19-37(31,22-1-2-22)23-3-4-23)34-13-15(36-18(30)21-39(33,26-9-10-26)27-11-12-27)14-35-17(29)20-38(32,24-5-6-24)25-7-8-25/h15H,1-14H2,(H,19,28,31)(H,20,29,32)(H,21,30,33)
Std. InChIKey: PNMGXUKOVGRSIA-UHFFFAOYSA-N
CAS NO: 28613-21-0
Molecular Formula: C18H32N9O9P3
Molecular Weight: 611.4229
Molecular Structure :
H bond acceptors: 18
H bond donors: 3
Freely Rotating Bonds: 14
Polar Surface Area: 187.32 Å2
Index of Refraction: 1.665
Molar Refractivity: 133.16 cm3
Molar Volume: 358.2 cm3
Surface Tension: 90.6 dyne/cm
Density: 1.7 g/cm3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 220mg/kg (220mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN		 Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
rat LD50 subcutaneous 275mg/kg (275mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN		 Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.

Safety Profile

A poison by subcutaneous route. When Carbamic acid, (bis(1-aziridinyl)phosphinyl)-, 1,2,3-propanetriyl ester (CAS NO.28613-21-0) is heated to decomposition ,it emits toxic vapors of POx and NOx.