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1208-03-3

1208-03-3 Structure

1208-03-3 Structure
IdentificationBack Directory
[Name]

BENZALDEHYDE NITROGEN MUSTARD
[CAS]

1208-03-3
[Synonyms]

WLN: VHR DN2G2G
p-Bis(beta-chloroe
TIMTEC-BB SBB007649
BENZALDEHYDE NITROGEN MUSTARD
p-Bis(2-chloroethyl)aminobenzaldehyde
4-Bis(B-Chloroethyl)Aminobenzaldehyde
4-[Bis(-chloroethyl)amino]benzaldehyde
4-(bis(2-chloroethyl)amino)benzaldehyde
p-(bis(2-chloroethyl)amino)-benzaldehyd
p-Bis(beta-chloroethyl)aminobenzaldehyde
4-BIS-(BETA-CHLOROETHYL)AMINOBENZALDEHYDE
4-Formyl-N,N-di(2-chloroethyl)benzenamine
P-N,N-BIS(2-CHLOROETHYL)AMINOBENZALDEHYDE
Benzaldehyde, 4-(bis(2-chloroethyl)amino)-
Benzaldehyde, p-(bis(2-chloroethyl)amino)-
4-(N,N-Bis(2-chloroethyl)amino)benzaldehyde
4-Aminobenzaldehyde, N,N-di[2-chloroethyl]-
4-[Bis-(2-chloroethyl)amino]benzaldehyde 99%
BENZALDEHYDE NITROGEN MUSTARD ISO 9001:2015 REACH
[Molecular Formula]

C11H13Cl2NO
[MDL Number]

MFCD00014132
[MOL File]

1208-03-3.mol
[Molecular Weight]

246.13
Chemical PropertiesBack Directory
[Melting point ]

86-90 °C
[Boiling point ]

384.8±37.0 °C(Predicted)
[density ]

1.263±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

1.02±0.50(Predicted)
[Appearance]

Light brown to brown Solid
[InChI]

1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2
[InChIKey]

PXUFHXLGUJLBMI-UHFFFAOYSA-N
[SMILES]

ClCCN(CCCl)c1ccc(C=O)cc1
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

22-34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 2923 8/PG 3
[WGK Germany ]

3
[RTECS ]

CU4800000
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Dam. 1
Skin Corr. 1B
[Toxicity]

mouse,LD50,intraperitoneal,512mg/kg (512mg/kg),Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

crystallization. Melting point 86-88 ℃.
[Uses]

4-[Bis-(2-chloroethyl)amino]benzaldehyde can be used as an intermediate of N-formyl sarcoid and anti-tumor acid.
[Synthesis]

Use aniline to react with ethylene oxide, and generate N,N-bis(β-hydroxyethyl)aniline after hydroxyethylation. The latter is chlorinated with phosphorus oxychloride and formylated with dimethylformamide to obtain 4-[Bis-(2-chloroethyl)amino]benzaldehyde.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZALDEHYDE NITROGEN MUSTARD(1208-03-3)MS
BENZALDEHYDE NITROGEN MUSTARD(1208-03-3)1HNMR
BENZALDEHYDE NITROGEN MUSTARD(1208-03-3)IR1
BENZALDEHYDE NITROGEN MUSTARD(1208-03-3)IR2
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