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Phenylalanine,4-[bis(2-chloroethyl)amino]- (531-76-0)

Identification
Name:Phenylalanine,4-[bis(2-chloroethyl)amino]-
Synonyms:Alanine,3-[p-[bis(2-chloroethyl)amino]phenyl]-, DL- (8CI); DL-Phenylalanine,4-[bis(2-chloroethyl)amino]-; DL-Phenylalanine mustard; DL-Sarcolysin;DL-Sarcolysine; Merphalan
CAS:531-76-0
Molecular Formula: C13H18 Cl2 N2 O2
Molecular Weight: 305.23
InChI: InChI=1/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
Molecular Structure: (C13H18Cl2N2O2) Alanine,3-[p-[bis(2-chloroethyl)amino]phenyl]-, DL- (8CI); DL-Phenylalanine,4-[bis(2-chloroethyl)ami...
Properties
Melting Point: 182-183 deg C (decomp)
Flash Point: 239.9°C
Boiling Point: 473.1°Cat760mmHg
Density:1.32g/cm3
Solubility:SOL IN ETHANOL, PROPYLENE GLYCOL; PRACTICALLY INSOL IN WATER
SLIGHTLY SOL IN METHANOL
SOL IN 2% CARBOXYMETHYLCELLULOSE & IN DIL MINERAL ACID & ALKALI SOLN; INSOL IN CHLOROFORM & ETHER
Specification:

 DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine (CAS NO.531-76-0) is also called 4-(Bis(2-chloroethyl)amino)-DL-phenylalanine ; AI3-25298 ; CB-3307 ; CCRIS 376 ; DL-Phenylalanine mustard ; DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)- ; DL-Sarcolysin ; DL-Sarcolysine ; Merfalan ; NSC-14210 ; O-Merphalan ; Phenylalanin-lost [German] ; Sarcolisina [INN-Spanish] ; Sarcolysine [INN-French] ; Sarcolysinum [INN-Latin] ; p-Di(2-chloroethyl)amino-DL-phenylalanine ; p-Di-(2-chloraethyl)-amino-DL-phenyl-alanin [German] .  DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine (CAS NO.531-76-0) is tiny needles (from methanol). The reactions of DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine is insoluble in water. Flash point data for DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine are not available. DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine is probably combustible. DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine is high toxic. It will produce toxic nitrogen oxide and chloride fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine (CAS NO.531-76-0) separate from raw materials of food.

Report:

IARC Cancer Review: Group 2B IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon. France.: ) (single copies can be ordered from WHO Publications centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 9 (1975),p. 167.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; NCI Carcinogenesis Studies (ipr); Clear Evidence: mouse CANCAR    Cancer. 40 (1977),1935. ; No Evidence: rat CANCAR    Cancer. 40 (1977),1935. .

Flash Point: 239.9°C
Color: WHITE POWDER
OFF-WHITE TO BUFF POWDER
Safety Data