Halogenation Reagents

Cas#: 188944-77-6        Compound CID:  44629787

Formula:  C₁₆H₂₂BrF₆N₂P        Molecular Weight: 467.23

IUPAC Name: 2,4,6-trimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)bromanuidylpyridin-1-ium;hexafluorophosphate

SMILES: CC1=CC(=[N+](C(=C1)C)[Br-][N+]2=C(C=C(C=C2C)C)C)C.F[P-](F)(F)(F)(F)F

InChIKey: YTYGAGSIUXQVJI-UHFFFAOYSA-N

InChI: InChI=1S/C16H22BrN2.F6P/c1-11-7-13(3)18(14(4)8-11)17-19-15(5)9-12(2)10-16(19)6;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1

Cas#: 58943-98-9        Compound CID:  2775076

Formula:  C₁₈H₁₈F₂₄N₃O₆P₃        Molecular Weight: 921.23

IUPAC Name: 2,2,4,4,6,6-hexakis(2,2,3,3-tetrafluoropropoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

SMILES: C(C(C(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(C(F)F)(F)F

InChIKey: WAVNXLRSYAMQNY-UHFFFAOYSA-N

InChI: InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2

Cas#: 335-64-8        Compound CID:  78978

Formula:  CF₃(CF₂)₆COCl        Molecular Weight: 432.51

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride

SMILES: C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl

InChIKey: AQQBRCXWZZAFOK-UHFFFAOYSA-N

InChI: InChI=1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24

Cas#: 2902-68-3        Compound CID:  60153134

Formula:  C₈H₃IO₄        Molecular Weight: 290.01

IUPAC Name: 4λ3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene-2,6-dione

SMILES: C1=CC2=C3C(=C1)C(=O)OI3OC2=O

InChIKey: DHIWEENQJCGNME-UHFFFAOYSA-N

InChI: InChI=1S/C8H3IO4/c10-7-4-2-1-3-5-6(4)9(12-7)13-8(5)11/h1-3H

Cas#: 127-52-6        Compound CID:  4347343

Formula:  C₆H₅ClNNaO₂S·xH₂O        Molecular Weight: 213.61(anhydrous basis)

IUPAC Name: sodium;benzenesulfonyl(chloro)azanide

SMILES: C1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]

InChIKey: KDNCILYKSYKEFJ-UHFFFAOYSA-N

InChI: InChI=1S/C6H5ClNO2S.Na/c7-8-11(9,10)6-4-2-1-3-5-6;/h1-5H;/q-1;+1

Cas#: 7730-20-3        Compound CID:  94937

Formula:  C₁₁H₁₁FN₂O₂        Molecular Weight: 222.22

IUPAC Name: 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

SMILES: C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N

InChIKey: YMEXGEAJNZRQEH-UHFFFAOYSA-N

InChI: InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)

Cas#: 884494-82-0        Compound CID:  40427008

Formula:  C₇H₆FNO₃        Molecular Weight: 171.13

IUPAC Name: 5-fluoro-2-methoxypyridine-3-carboxylic acid

SMILES: COC1=C(C=C(C=N1)F)C(=O)O

InChIKey: WMTDYCWMCDHQHR-UHFFFAOYSA-N

InChI: InChI=1S/C7H6FNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)

Cas#: 41405-35-0        Compound CID:  2776132

Formula:  C₇HClF₁₂O        Molecular Weight: 364.52

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl chloride

SMILES: C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey: SQQWEKUYKNKPOG-UHFFFAOYSA-N

InChI: InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H

Cas#: 1008-07-7        Compound CID:  643958

Formula:  C₉H₆ClNO        Molecular Weight: 179.61

IUPAC Name: 7-chloro-1H-indole-3-carbaldehyde

SMILES: C1=CC2=C(C(=C1)Cl)NC=C2C=O

InChIKey: NHJNOJSRXQVQRT-UHFFFAOYSA-N

InChI: InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H

Cas#: 5335-05-7        Compound CID:  79257

Formula:  C₈H₇ClO₂        Molecular Weight: 170.59

IUPAC Name: chloromethyl benzoate

SMILES: C1=CC=C(C=C1)C(=O)OCCl

InChIKey: BOXZXICVMMSYPE-UHFFFAOYSA-N

InChI: InChI=1S/C8H7ClO2/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,6H2

Cas#: 558-13-4        Compound CID:  11205

Formula:  CBr₄        Molecular Weight: 331.63

IUPAC Name: tetrabromomethane

SMILES: C(Br)(Br)(Br)Br

InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N

InChI: InChI=1S/CBr4/c2-1(3,4)5

Cas#: 507-25-5        Compound CID:  10487

Formula:  CI₄        Molecular Weight: 519.63

IUPAC Name: tetraiodomethane

SMILES: C(I)(I)(I)I

InChIKey: JOHCVVJGGSABQY-UHFFFAOYSA-N

InChI: InChI=1S/CI4/c2-1(3,4)5