Completing data — usually done within a minute
Basic information
- CAS
2214-72-4- Standard SMILES
O=C(NCCCl)NCCCl- InChIKey
VBWBRZHAGLZNST-UHFFFAOYSA-N- Molecular formula
- C5H10Cl2N2O
- Average molar mass
- 185.054 g/mol
- Monoisotopic mass
- 184.0170183
Names & identifiers
- Preferred name
- 1,3-Bis(2-chloroethyl)urea
- IUPAC
- N,N'-Bis(2-chloroethyl)urea
- English name
- N,N'-bis-(2-Chloroethyl)urea
- Molecular formula
- C5H10Cl2N2O
- Molecular weight
- 185.05
Names & synonyms
BCUNSC 36198Lomustine Impurity ACamustine EP Impurity ACarmustine EP Impurity ACarmustine impurity A CRSCaprylic Acid Impurity 17n,n'-bis-(2-chloroethyl)ureaCarMustine Related CoMpound AUrea, N,N'-bis(2-chloroethyl)-
Database identifiers
- CAS
2214-72-4- PubChem CID
- 95791
- DTXSID
DTXSID40176672- ChEMBL
CHEMBL1331- UNII
- 67617YV44S
- EC Number
- 811-761-0
- Nikkaji
- J600.103C
Properties
Physicochemical properties
- Melting point
- 128 · 128-129 °C
- Boiling point
- 358.2 · 358.2±27.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 12.99 · 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
- FDA UNII
- 67617 YV44S · 67617YV44S
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HS Code
- 2924190002 · 2924190002
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2924190002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-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.
Upstream & downstream products
Upstream raw materials
Suppliers64 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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