CAS No.: 141025-16-3 — N,N'-Bis(2-bromoethyl)phosphorodiamidic acid (N,N'-Bis(2-bromoethyl)phosphorodiamidic acid)

1. Primary Information

English name:	N,N'-Bis(2-bromoethyl)phosphorodiamidic acid
CAS No.:	141025-16-3
Molecular formula:	C₄H₁₁BR₂N₂O₂P
Molecular weight:	309.92 g/mol
SMILES:	C(CBr)NP(=O)(NCCBr)O
Structural class:
Other identifiers:	bromofosfamide CBM-11 N,N'-bis(2-bromoethyl)phosphorodiamidic acid N,N'-bis(BrEt)isophosphoramide N,N'-bis-(2-bromoethyl)phosphorodiamidic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	98%	6080	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 21 0 0 0 0 0 0 0999 V2000 -5.4693 0.2590 -0.1650 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4596 0.2618 -0.2154 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.5035 -0.0494 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -1.5828 1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -1.2160 -1.3801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 0.4649 0.2185 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3211 0.4675 0.2368 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 -0.0953 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 -0.0946 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 1.0199 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 1.0191 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 1.0324 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2893 1.0333 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 -0.7862 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -0.6753 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -0.6730 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 -0.7876 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6902 1.6185 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5416 1.6763 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 1.7097 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 1.5805 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7546 -2.2071 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 22 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

bis(2-bromoethylamino)phosphinic acid

4.2 InChI

InChI=1S/C4H11Br2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)

4.3 InChIKey

FUNYDODCWWGJJA-UHFFFAOYSA-N

4.4 Canonical SMILES

C(CBr)NP(=O)(NCCBr)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)