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Home> Hot Product Listed P   > Phosphorodiamidic acid,N-(2-bromoethyl)-N'-(2-chloroethyl)-
412009-62-2 structure

Phosphorodiamidic acid,N-(2-bromoethyl)-N'-(2-chloroethyl)-

Iupac Name:1-decyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
CAS No.:412009-62-2
EINECS(EC#): 302-142-1
Molecular Weight:372.447
Molecular Formula:C17H18N4O (isomer)
Names and Identifiers
Synonyms

(2-bromoethyl)amino((2-chloroethyl)amino)phosphinic acid (2-bromoethylamino)-(2-chloroethylamino)phosphinic acid AC1L2ORK DTXSID70157676 isophosphamide bromide mustard LS-107984 n-(2-bromoethyl)-n'-(2-chloroethyl)phosphorodiamidic acid n-(2-chloroethyl)-n'-(2-bromoethyl)diamidophosphoric acid OR213792 phosphorodiamidic acid, n-(2-bromoethyl)-n'-(2-chloroethyl)-

Inchi
InChI=1S/C14H27N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)8(5,6)7/h12-14H,3-11H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChkey
YFLIZKWXKVXRES-UHFFFAOYSA-M
Canonical Smiles
CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Properties
Density
1.184
Boiling Point
551.8°Cat760mmHg
Flash Point
207.3°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:372.447g/mol
  • Molecular Formula:C17H18N4O
  • Compound Is Canonicalized:True
  • Exact Mass:372.169
  • Monoisotopic Mass:372.169
  • Complexity:303
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:74.4A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAACADBAhQvkBcMEAKg ABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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