ChemicalBook--->CAS DataBase List--->2214-72-4

2214-72-4

2214-72-4 Structure

2214-72-4 Structure
IdentificationBack Directory
[Name]

N,N'-bis-(2-Chloroethyl)urea
[CAS]

2214-72-4
[Synonyms]

BCU
NSC 36198
Lomustine Impurity A
Carmustine EP Impurity A
Carmustine impurity A CRS
CarMustine Related CoMpound A
Urea, N,N'-bis(2-chloroethyl)-
Carmustine impurity A (C0580010)
Carmustine USP Related Compound A
3-(diethylamino)-1-(2,4,6-trimethoxyphenyl)-1-propanone
Carmustine Related Compound A (10 mg) (1,3-bis(2-chloroethyl)urea)
Carmustine Related Compound A (1,3-bis(2-chloroethyl)urea) (1096735)
Carmustine EP impurity A/ Carmustine Related Compound A (1,3-Bis(2-chloroethyl)urea)
[Molecular Formula]

C5H10Cl2N2O
[MDL Number]

MFCD00068573
[MOL File]

2214-72-4.mol
[Molecular Weight]

185.05
Chemical PropertiesBack Directory
[Melting point ]

128-129 °C
[Boiling point ]

358.2±27.0 °C(Predicted)
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

12.99±0.46(Predicted)
[Appearance]

White to off-white Solid
[Stability:]

Hygroscopic, Unstable in Solution
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C5H10Cl2N2O/c6-1-3-8-5(10)9-4-2-7/h1-4H2,(H2,8,9,10)
[InChIKey]

VBWBRZHAGLZNST-UHFFFAOYSA-N
[SMILES]

N(CCCl)C(NCCCl)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2924190002
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Uses]

1,3-Bis(2-chloroethyl)urea is an impurity in the synthesis of Carmustine (C183875), an alkylating and carbamoylating nitrosourea compound. It interacts with DNA, RNA and proteins causing DNA interstrand cross linking which is cytotoxic and leads to apoptotic cell death.
Spectrum DetailBack Directory
[Spectrum Detail]

N,N'-bis-(2-Chloroethyl)urea(2214-72-4)1HNMR
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