Organic phosphonic acids and derivatives

Description:

Organic compounds containing phosphonic acid or a derivative thereof.

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  1. Alendronic Acid-d6 (Major)
    CAS: 1035437-39-8 PubChem CID: 42601640 Formula: C4H7D6NO7P2 Molecular Weight: 255.13
    Out of Stock Item #: A1288700
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    Technical Identifiers
    IUPAC Name
    (4-amino-2,2,3,3,4,4-hexadeuterio-1-hydroxy-1-phosphonobutyl)phosphonic acid
    SMILES
    C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
    InChIKey
    OGSPWJRAVKPPFI-NMFSSPJFSA-N
    InChI
    1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/i1D2,2D2,3D2
  2. Tributylamine (dichloromethylene)bis(phosphonate)
    CAS: 163706-61-4 Formula: C13H31Cl2NO6P2 Molecular Weight: 430.24
    Solid ≥95%
    Out of Stock Item #: T770223
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    IUPAC Name
    N,N-dibutylbutan-1-amine;[dichloro(phosphono)methyl]phosphonic acid
    SMILES
    CCCCN(CCCC)CCCC.C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl
    InChIKey
    NDWFZUQKBXXXGW-UHFFFAOYSA-N
    InChI
    1S/C12H27N.CH4Cl2O6P2/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,10(4,5)6)11(7,8)9/h4-12H2,1-3H3;(H2,4,5,6)(H2,7,8,9)
  3. ATMP·Na{5}
    CAS: 2235-43-0 EC Number: 218-791-8 PubChem CID: 16697 Formula: C3H7NNa5O9P3 Molecular Weight: 408.96
    Liquid ≥28%(based on ATMP)
    Out of Stock Item #: A770718
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    IUPAC Name
    pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
    SMILES
    C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChIKey
    OSBMVGFXROCQIZ-UHFFFAOYSA-I
    InChI
    1S/C3H12NO9P3.5Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-5
  4. Acetamidomethylphosphonic acid
    CAS: 57637-97-5 PubChem CID: 3017080 Formula: C3H8NO4P Molecular Weight: 153.07
    Out of Stock Item #: A768714
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    IUPAC Name
    acetamidomethylphosphonic acid
    SMILES
    CC(=O)NCP(=O)(O)O
    InChIKey
    FDNUAHPLMXZWLS-UHFFFAOYSA-N
    InChI
    1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
  5. Diethyl (2-(dimethylamino)-2-oxoethyl)phosphonate
    CAS: 3842-86-2 PubChem CID: 11127903 Formula: C8H18NO4P Molecular Weight: 223.21
    Out of Stock Item #: D768804
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    IUPAC Name
    2-diethoxyphosphoryl-N,N-dimethylacetamide
    SMILES
    CCOP(=O)(CC(=O)N(C)C)OCC
    InChIKey
    SPNSSEKVTXYNNH-UHFFFAOYSA-N
    InChI
    1S/C8H18NO4P/c1-5-12-14(11,13-6-2)7-8(10)9(3)4/h5-7H2,1-4H3
  6. (1-Amino-1-Phosphonopropyl)Phosphonic Acid
    CAS: 15049-86-2 PubChem CID: 4368807 Formula: C3H11NO6P2
    Out of Stock Item #: P709168
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    Technical Identifiers
    IUPAC Name
    (1-amino-1-phosphonopropyl)phosphonic acid
    SMILES
    CCC(N)(P(=O)(O)O)P(=O)(O)O
    InChIKey
    PCTMREJZUSEOQD-UHFFFAOYSA-N
    InChI
    1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
  7. 3-(Bis(benzyloxy)phosphoryl)propanoic acid
    CAS: 805243-04-3 PubChem CID: 46223844 Formula: C17H19O5P Molecular Weight: 334.3
    Out of Stock Item #: P732671
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    Technical Identifiers
    IUPAC Name
    3-bis(phenylmethoxy)phosphorylpropanoic acid
    SMILES
    C1=CC=C(C=C1)COP(=O)(CCC(=O)O)OCC2=CC=CC=C2
    InChIKey
    WCSXCHGBVSQCMB-UHFFFAOYSA-N
    InChI
    1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
  8. (Z)-Prop-1-en-1-ylphosphonic acid
    CAS: 25383-06-6 EC Number: 246-928-1 PubChem CID: 6436667
    ≥95% stabilized with TBC
    Out of Stock Item #: P727444
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    Technical Identifiers
    IUPAC Name
    [(Z)-prop-1-enyl]phosphonic acid
    SMILES
    CC=CP(=O)(O)O
    InChIKey
    XWCIXXXLOAAWPU-IHWYPQMZSA-N
    InChI
    1S/C3H7O3P/c1-2-3-7(4,5)6/h2-3H,1H3,(H2,4,5,6)/b3-2-
  9. (Z)-Prop-1-en-1-ylphosphonic acid
    CAS: 25383-06-6 EC Number: 246-928-1 PubChem CID: 6436667
    Out of Stock Item #: P727445
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    Technical Identifiers
    IUPAC Name
    [(Z)-prop-1-enyl]phosphonic acid
    SMILES
    CC=CP(=O)(O)O
    InChIKey
    XWCIXXXLOAAWPU-IHWYPQMZSA-N
    InChI
    1S/C3H7O3P/c1-2-3-7(4,5)6/h2-3H,1H3,(H2,4,5,6)/b3-2-
  10. methyl 3-(dimethoxyphosphoryl)propanoate
    CAS: 18733-15-8 PubChem CID: 87769 Formula: C6H13O5P Molecular Weight: 196.14
    Out of Stock Item #: M694952
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    Technical Identifiers
    IUPAC Name
    methyl 3-dimethoxyphosphorylpropanoate
    SMILES
    COC(=O)CCP(=O)(OC)OC
    InChIKey
    DUCGXDQPWFCMNZ-UHFFFAOYSA-N
    InChI
    1S/C6H13O5P/c1-9-6(7)4-5-12(8,10-2)11-3/h4-5H2,1-3H3
  11. Tetraethyl (dimethylaminomethylene)diphosphonate
    CAS: 18855-52-2 PubChem CID: 86795 Formula: C11H27NO6P2 Molecular Weight: 331.28
    Out of Stock Item #: T694921
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    Technical Identifiers
    IUPAC Name
    1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine
    SMILES
    CCOP(=O)(C(N(C)C)P(=O)(OCC)OCC)OCC
    InChIKey
    SQDDGOVNJMIFFT-UHFFFAOYSA-N
    InChI
    1S/C11H27NO6P2/c1-7-15-19(13,16-8-2)11(12(5)6)20(14,17-9-3)18-10-4/h11H,7-10H2,1-6H3
  12. BHMTPH·PN(Na2)
    CAS: 35657-77-3 EC Number: 252-156-6, 252-656-4 PubChem CID: 118717
    35% -39% (calculated as BHMTPMPA)
    Out of Stock Item #: B696067
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    Technical Identifiers
    IUPAC Name
    [bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid
    SMILES
    C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
    InChIKey
    YWMWZKYVGNWJPU-UHFFFAOYSA-N
    InChI
    1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)show more
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