Halogenation Reagents

Cas#: 7789-60-8        Compound CID:  24614

Formula:  PBr₃        Molecular Weight: 270.69

IUPAC Name: tribromophosphane

SMILES: P(Br)(Br)Br

InChIKey: IPNPIHIZVLFAFP-UHFFFAOYSA-N

InChI: InChI=1S/Br3P/c1-4(2)3

Cas#: 69064-33-1        Compound CID:  64478

Formula:  x(C₁₁F₁₈)+y(C₁₀F₁₆)        Molecular Weight: x(474.09)+y(424.08)

IUPAC Name: 1,2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-hexadecafluoroadamantane

SMILES: C12(C(C3(C(C(C1(F)F)(C(C(C2(F)F)(C3(F)F)F)(F)F)F)(F)F)F)(F)F)F

InChIKey: FRZFEPXEUZSBLA-UHFFFAOYSA-N

InChI: InChI=1S/C10F16/c11-1-5(15,16)2(12)8(21,22)3(13,6(1,17)18)10(25,26)4(14,7(1,19)20)9(2,23)24

Cas#: 563-09-7        Compound CID:  2778036

Formula:  C₁₂H₆F₂₁O₄P        Molecular Weight: 644.12

IUPAC Name: tris(2,2,3,3,4,4,4-heptafluorobutyl) phosphate

SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F

InChIKey: SEKXXYCKRMKLQG-UHFFFAOYSA-N

InChI: InChI=1S/C12H6F21O4P/c13-4(14,7(19,20)10(25,26)27)1-35-38(34,36-2-5(15,16)8(21,22)11(28,29)30)37-3-6(17,18)9(23,24)12(31,32)33/h1-3H2

Cas#: 98288-01-8        Compound CID:  4342657

Formula:  C₉H₉BrO₂S        Molecular Weight: 261.14

IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]acetic acid

SMILES: C1=CC(=CC(=C1)Br)CSCC(=O)O

InChIKey: RVSYZDWHMKOERG-UHFFFAOYSA-N

InChI: InChI=1S/C9H9BrO2S/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12)

Cas#: 1034-39-5        Compound CID:  70579

Formula:  C₁₈H₁₅Br₂P        Molecular Weight: 422.1

IUPAC Name: dibromo(triphenyl)-λ5-phosphane

SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(Br)Br

InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N

InChI: InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Cas#: 16133-25-8        Compound CID:  3164136

Formula:  C₅H₄ClNO₂S        Molecular Weight: 177.61

IUPAC Name: pyridine-3-sulfonyl chloride

SMILES: C1=CC(=CN=C1)S(=O)(=O)Cl

InChIKey: CDRNYKLYADJTMN-UHFFFAOYSA-N

InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H

Cas#: 10366-05-9        Compound CID:  11065727

Formula:  C₁₆H₁₄Cl₂        Molecular Weight: 277.19

SMILES: C1CC2=CC(=C(CCC3=C(C=C1C=C3)Cl)C=C2)Cl

Cas#: 1538-08-5        Compound CID:  229753

Formula:  C₂H₃F₃N₂O        Molecular Weight: 128.054

IUPAC Name: 2,2,2-trifluoroacetohydrazide

SMILES: C(=O)(C(F)(F)F)NN

InChIKey: OFUCCBIWEUKISP-UHFFFAOYSA-N

InChI: InChI=1S/C2H3F3N2O/c3-2(4,5)1(8)7-6/h6H2,(H,7,8)

Cas#: 125229-64-3        Compound CID:  5289587

Formula:  C₁₄H₁₅BrClNO₆        Molecular Weight: 408.63

IUPAC Name: (2R,3S,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)CO)O)O)O)Cl)Br

InChIKey: OPIFSICVWOWJMJ-HAAGFXOZSA-N

InChI: InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1

Cas#: 26638-43-7        Compound CID:  117830

Formula:  C₈H₇ClO₄S        Molecular Weight: 234.66

IUPAC Name: methyl 2-chlorosulfonylbenzoate

SMILES: COC(=O)C1=CC=CC=C1S(=O)(=O)Cl

InChIKey: HUNUAFNLLYVTQD-UHFFFAOYSA-N

InChI: InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3

Cas#: 15114-43-9        Compound CID:  192912

Formula:  C₃HBr₂N₃O₃        Molecular Weight: 286.87

IUPAC Name: 1,3-dibromo-1,3,5-triazinane-2,4,6-trione

SMILES: C1(=O)NC(=O)N(C(=O)N1Br)Br

InChIKey: HHBCEKAWSILOOP-UHFFFAOYSA-N

InChI: InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)

Cas#: 552331-16-5        Compound CID:  22558740

Formula:  C₈H₇BrN₂        Molecular Weight: 211.062

IUPAC Name: 5-bromo-3-methyl-2H-indazole

SMILES: CC1=C2C=C(C=CC2=NN1)Br

InChIKey: XDJNHYAQZWCIAH-UHFFFAOYSA-N

InChI: InChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)