CAS 127-88-8

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Also known as: 127-88-8, Bis(2-chloroethyl)aminophosphoric dichloride, Bis(2-chloroethyl)aminophosphonic dichloride, Phosphoramidic dichloride, bis(2-chloroethyl)-, 2-chloro-n-(2-chloroethyl)-n-dichlorophosphorylethanamine, Phosphoramidic dichloride, n,n-bis(2-chloroethyl)-

Molecular Formula

C₄H₈Cl₄NOP

Molecular Weight

258.9 g/mol

InChI Key

IQPMYTNILJQKBS-UHFFFAOYSA-N

1 2D Structure

CAS 127-88-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine

2.1.2 InChI

InChI=1S/C4H8Cl4NOP/c5-1-3-9(4-2-6)11(7,8)10/h1-4H2

2.1.3 InChI Key

IQPMYTNILJQKBS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCl)N(CCCl)P(=O)(Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127-88-8

2. Bis(2-chloroethyl)aminophosphoric Dichloride

3. Bis(2-chloroethyl)aminophosphonic Dichloride

4. Phosphoramidic Dichloride, Bis(2-chloroethyl)-

5. 2-chloro-n-(2-chloroethyl)-n-dichlorophosphorylethanamine

6. Phosphoramidic Dichloride, N,n-bis(2-chloroethyl)-

7. Nsc64119

8. Phosphoramidicdichloride, N,n-bis(2-chloroethyl)-

9. Nsc 64119

10. N,n-bis(2-chloroethyl)phosphoramidic Dichloride

11. Nciopen2_003083

12. Schembl886844

13. Bis(2-chloroethyl)aminophosphonoyl Dichloride

14. Dtxsid40155366

15. Iqpmytniljqkbs-uhfffaoysa-n

16. Bcp22513

17. Mfcd00191796

18. Nsc-64119

19. Akos004909553

20. Bp-23561

21. Di(2-chloroethyl)phosphoramidic Dichloride

22. Dichlorophosphinic Bis(2-chloroethyl)amide

23. Db-022654

24. Di-(2-chloroethyl)amidophosphorodichloridate

25. B5908

26. Bis(2-chloroethyl)-phosphoramidic Dichloride

27. Cs-0361221

28. Di-(2-chloroethyl)-phosphoramidic Dichloride

29. N,n-bis(2-chlorethyl) Phosphoramidic Dichloride

30. T70185

31. J-005551

32. N,n-bis-(2-chloroethyl)-amidophosphoric Acid Dichloride

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈Cl₄NOP
Molecular Weight	258.9 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.3
Heavy Atom Count	11
Formal Charge	0
Complexity	143
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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