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Halogenation Reagents
Diphenyliodonium nitrate Cas#: 722-56-5
Compound CID: 12876 Formula: C12H10INO3 Molecular Weight: 343.12
IUPAC Name: diphenyliodanium;nitrate
SMILES: C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)([O-])[O-]
InChIKey: CQZCVYWWRJDZBO-UHFFFAOYSA-N
InChI: InChI=1S/C12H10I.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;/q+1;-1
Synonyms: DPIN | IODONIUM, DIPHENYL-, NITRATE | AKOS015833428 | SCHEMBL52022 | FT-0625269 | DS-11775 | diphenyliodanium;nitrate...
Iodine monobromide Cas#: 7789-33-5
Compound CID: 82238 Formula: IBr Molecular Weight: 206.81
SMILES: BrI
InChIKey: CBEQRNSPHCCXSH-UHFFFAOYSA-N
InChI: InChI=1S/BrI/c1-2
Synonyms: Iodine bromide | Iodobromine | Bromoiodine | bromine monoiodide
5-Iodo-1-indanone Cas#: 511533-38-3
Compound CID: 44829109 Formula: C9H7IO Molecular Weight: 258.06
IUPAC Name: 5-iodo-2,3-dihydroinden-1-one
SMILES: C1CC(=O)C2=C1C=C(C=C2)I
InChIKey: XVDWDHAAIWZKRU-UHFFFAOYSA-N
InChI: InChI=1S/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
Synonyms: CS-0001932 | AKOS015853853 | MB07544 | DTXSID20661192 | FT-0646278 | J-507000 | A828465 | 5-Iodo-2,3-dihydro-1H-inden...
Iodine pentoxide Cas#: 12029-98-0
Compound CID: 159402 Formula: I2O5 Molecular Weight: 333.81
IUPAC Name: iodyl iodate
SMILES: O=I(=O)OI(=O)=O
InChIKey: BIZCJSDBWZTASZ-UHFFFAOYSA-N
InChI: InChI=1S/I2O5/c3-1(4)7-2(5)6
Synonyms: Iodic anhydride | Diiodine pentoxide
Sodium perfluorohexanoate Formula: C6F11NaO2 Molecular Weight: 336.04
IUPAC Name: sodium;2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
SMILES: C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]
InChIKey: UIMRWXUIVFZGSD-UHFFFAOYSA-M
InChI: InChI=1S/C6HF11O2.Na/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17;/h(H,18,19);/q;+1/p-1
Synonyms: Sodium perfluorohexanoate | Perfluorohexanoic acid sodium 50 microg/mL in Methanol:Water | Sodium undecafluorohexanoa...
5-Chloro-m-xylene Cas#: 556-97-8
Compound CID: 32887 Formula: C8H9Cl Molecular Weight: 140.61
IUPAC Name: 1-chloro-3,5-dimethylbenzene
SMILES: CC1=CC(=CC(=C1)Cl)C
InChIKey: FKKLHLZFSZGXBN-UHFFFAOYSA-N
InChI: InChI=1S/C8H9Cl/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
Synonyms: A830760 | BBL103062 | 3-05-00-00834 (Beilstein Handbook Reference) | 3,5-Dimethylchlorobenzene | 5-Chloro-1,3-xylene ...
Methyl 5-bromo-2-formylbenzoate Cas#: 1016163-89-5
Compound CID: 53419722 Formula: C9H7BrO3 Molecular Weight: 243.1
IUPAC Name: methyl 5-bromo-2-formylbenzoate
SMILES: COC(=O)C1=C(C=CC(=C1)Br)C=O
InChIKey: ZYGJVCDDZZSSEE-UHFFFAOYSA-N
InChI: InChI=1S/C9H7BrO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-5H,1H3
Synonyms: Benzoic acid, 5-bromo-2-formyl-, methyl ester | CS-0103320 | METHYL 5-BROMO-2-FORMYLBENZOATE | Methyl5-bromo-2-formyl...
Methyl 6-(trifluoromethyl)picolinate Cas#: 155377-05-2
Compound CID: 45158822 Formula: C8H6F3NO2 Molecular Weight: 205.1
IUPAC Name: methyl 6-(trifluoromethyl)pyridine-2-carboxylate
SMILES: COC(=O)C1=NC(=CC=C1)C(F)(F)F
InChIKey: AYABEJGGSWJVPN-UHFFFAOYSA-N
InChI: InChI=1S/C8H6F3NO2/c1-14-7(13)5-3-2-4-6(12-5)8(9,10)11/h2-4H,1H3
Synonyms: J-009190 | AKOS015891822 | Methyl 6-(trifluoromethyl)pyridine-2-carboxylate | AU-004/43508041 | SCHEMBL1111138 | DTXS...
5-Fluorobenzofuran-3-one Formula: C8H5FO2 Molecular Weight: 152.1
IUPAC Name: 5-fluoro-1-benzofuran-3-one
SMILES: C1C(=O)C2=C(O1)C=CC(=C2)F
InChIKey: AOFLDWWKVCKMDV-UHFFFAOYSA-N
InChI: InChI=1S/C8H5FO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
Synonyms: FT-0657011 | 5-fluoro-benzofuran-3 (2h)-one | AM9389 | 5-fluoro-benzofuran-3(2h)-one | 5-fluorobenzofuran-3(2H)-one |...
Bromodifluoroacetic acid Cas#: 354-08-5
Compound CID: 2773282 Formula: C2HBrF2O2 Molecular Weight: 174.9
IUPAC Name: 2-bromo-2,2-difluoroacetic acid
SMILES: C(=O)(C(F)(F)Br)O
InChIKey: LZCMQBRCQWOSHZ-UHFFFAOYSA-N
InChI: InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)
Synonyms: FS-4424 | AKOS009158673 | MFCD02183519 | EN300-31561 | STL555605 | C2HBrF2O2 | A822778 | AT18902 | bromo(difluoro)ace...
Bromodimethylsulfonium Bromide Formula: C2H6Br2S Molecular Weight: 221.94
IUPAC Name: bromo(dimethyl)sulfanium;bromide
SMILES: C[S+](C)Br.[Br-]
InChIKey: RGVBVVVFSXWUIM-UHFFFAOYSA-M
InChI: InChI=1S/C2H6BrS.BrH/c1-4(2)3;/h1-2H3;1H/q+1;/p-1
Synonyms: Dimethylsulfur dibromide | RGVBVVVFSXWUIM-UHFFFAOYSA-M | bromo(dimethyl)sulfanium;bromide | UNII-999D47ZFVO | bromodi...
5-Chloro-2-(chloromethyl)-1,3-benzoxazole Cas#: 63842-22-8
Compound CID: 401571 Formula: C8H5Cl2NO Molecular Weight: 202
IUPAC Name: 5-chloro-2-(chloromethyl)-1,3-benzoxazole
SMILES: C1=CC2=C(C=C1Cl)N=C(O2)CCl
InChIKey: SMGVJNOYBXYDFB-UHFFFAOYSA-N
InChI: InChI=1S/C8H5Cl2NO/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2
Synonyms: J-517278 | AB21912 | BB 0240664 | 6X-0711 | NSC715266 | NSC-715266 | AKOS000164142 | MFCD05663796 | Benzoxazole, 5-ch...
