1,5-Bis(2-chloroethyl)biuret
Basic information
- CAS
16813-30-2- Standard SMILES
O=C(NCCCl)NC(=O)NCCCl- InChIKey
YEAPZDVWWPEUCZ-UHFFFAOYSA-N- Molecular formula
- C6H11Cl2N3O2
- Average molar mass
- 228.07 g/mol
- Monoisotopic mass
- 227.022832
Names & identifiers
- Preferred name
- 1,5-Bis(2-chloroethyl)biuret
- IUPAC
- 1-(2-chloroethyl)-3-(2-chloroethylcarbamoyl)urea
- English name
- 1,5-Bis(2-chloroethyl)biuret
- Molecular formula
- C6H11Cl2N3O2
- Molecular weight
- 228.08
Names & synonyms
1,5-Bis(2-chloroethyl)biuretRefChem:417138668-222-616813-30-2NSC85386DTXSID80937446YEAPZDVWWPEUCZ-UHFFFAOYSA-NBiuret, 1,5-bis(2-chloroethyl)-NSC-85386AKOS024337404N,N'-Bis(2-chloroethyl)triimidodicarbonic acidImidodicarbonic diamide, N,N'-bis(2-chloroethyl)-
Database identifiers
- CAS
16813-30-2- PubChem CID
- 257403
- DTXSID
DTXSID80937446- EC Number
- 668-222-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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