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553-27-5

553-27-5 Structure

553-27-5 Structure
IdentificationBack Directory
[Name]

N,N-BIS(2-CHLOROETHYL)ANILINE
[CAS]

553-27-5
[Synonyms]

tl476
SK 592
TL 476
A 14489
CB 1074
Lymphchin
Lymphocin
NCS-18429
NSC-18429
Lymphoquin
Lymphochin
Anilinlost
Lymphoquine
Mesylerythrol
anilinemustard
Aniline mustard
TIMTEC-BB SBB007871
N,N-Di(2-chloroethyl)aniline
N,N,BIS(2-CHLORETHYL)ANILINE
phenylbis(2-chloroethylamine)
n,n,-di(2-chloroethyl)aniline
n,n-bis(2-chloroethyl)-anilin
N,N-BIS(DICHLOROETHYL)ANILINE
N,N-BIS(2-CHLOROETHYL)ANILINE
bis(2-chloroethyl)-phenyl-amine
Aniline, N,N-bis(2-chloroethyl)-
beta,beta’-dichlorodiethylaniline
beta,beta'-Dichlorodiethylaniline
N,N-Bis(2-chloroethyl)benzenamine
N,N-bis(2-chloroethyl)-N-phenylaMine
[Molecular Formula]

C10H13Cl2N
[MDL Number]

MFCD00013689
[MOL File]

553-27-5.mol
[Molecular Weight]

218.12
Chemical PropertiesBack Directory
[Melting point ]

45°
[Boiling point ]

bp14 164°; bp0.5 110°
[density ]

1.2431 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

4.35±0.50(Predicted)
[color ]

Stout prisms from methanol
[InChI]

InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
[InChIKey]

ROSJKFFLIXTTAW-UHFFFAOYSA-N
[SMILES]

C1(N(CCCl)CCCl)=CC=CC=C1
Safety DataBack Directory
[RIDADR ]

UN3259
[HazardClass ]

8
[Toxicity]

LD50 orl-rat: 239 mg/kg NCIMR* -,469,69
Hazard InformationBack Directory
[Uses]

Aniline mustard (N, n-BIS (2-chloroethyl) aniline) is an anticancer agent[1].
[Safety Profile]

Poison by inhalation, ingestion,and intraperitoneal routes. Mutation data reported. Whenheated to decomposition it emits toxic fumes of Cl- andNOx.
[References]

[1] Fedeles BI, et al. Chemical genetics analysis of an aniline mustard anticancer agent reveals complex I of the electron transport chain as a target. J Biol Chem. 2011;286(39):33910-33920. DOI:10.1074/jbc.M111.278390
Spectrum DetailBack Directory
[Spectrum Detail]

N,N-BIS(2-CHLOROETHYL)ANILINE(553-27-5)MS
N,N-BIS(2-CHLOROETHYL)ANILINE(553-27-5)1HNMR
N,N-BIS(2-CHLOROETHYL)ANILINE(553-27-5)IR1
N,N-BIS(2-CHLOROETHYL)ANILINE(553-27-5)IR2
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