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Aryl halides

Organic compounds that contain an aromatic ring with one or more hydrogen atoms replaced by a halogen atom; also known as haloarene or halogenoarene. Halogen atoms include bromine, chlorine, fluorine, iodine.
Aryl bromides (106)
Aryl chlorides (51)
Aryl iodides (26)
Aryl fluorides (5)

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1

3-Bromo-4-isocyanatothiophene, 95%, Thermo Scientific™

CAS: 937795-88-5 Molecular Formula: C5H2BrNOS Molecular Weight (g/mol): 204.041 MDL Number: MFCD09879904 InChI Key: HVJDEHSHJHNENX-UHFFFAOYSA-N Synonym: 4-bromothiophen-3-isocyanate,4-bromothien-3-yl isocyanate PubChem CID: 24229539 IUPAC Name: 3-bromo-4-isocyanatothiophene SMILES: C1=C(C(=CS1)Br)N=C=O

PubChem CID 24229539
CAS 937795-88-5
Molecular Weight (g/mol) 204.041
MDL Number MFCD09879904
SMILES C1=C(C(=CS1)Br)N=C=O
Synonym 4-bromothiophen-3-isocyanate,4-bromothien-3-yl isocyanate
IUPAC Name 3-bromo-4-isocyanatothiophene
InChI Key HVJDEHSHJHNENX-UHFFFAOYSA-N
Molecular Formula C5H2BrNOS
3

3-Chloropyrazine-2-carbonitrile, 95+%, Thermo Scientific™

CAS: 55557-52-3 Molecular Formula: C5H2ClN3 Molecular Weight (g/mol): 139.54 MDL Number: MFCD00219653 InChI Key: SDLFAEGTVBPHBK-UHFFFAOYSA-N Synonym: 2-chloro-3-cyanopyrazine,3-chloro-2-pyrazinecarbonitrile,2-chloro-3-cyannopyrazine,pyrazinecarbonitrile, 3-chloro,3-chloro-2-cyanopyrazine,3-chlorpyrazin-2-carbonitril,chlorocyanopyrazine,pubchem10180,acmc-209lnr,2-cyano-3-chloropyrazine PubChem CID: 292465 IUPAC Name: 3-chloropyrazine-2-carbonitrile SMILES: ClC1=NC=CN=C1C#N

PubChem CID 292465
CAS 55557-52-3
Molecular Weight (g/mol) 139.54
MDL Number MFCD00219653
SMILES ClC1=NC=CN=C1C#N
Synonym 2-chloro-3-cyanopyrazine,3-chloro-2-pyrazinecarbonitrile,2-chloro-3-cyannopyrazine,pyrazinecarbonitrile, 3-chloro,3-chloro-2-cyanopyrazine,3-chlorpyrazin-2-carbonitril,chlorocyanopyrazine,pubchem10180,acmc-209lnr,2-cyano-3-chloropyrazine
IUPAC Name 3-chloropyrazine-2-carbonitrile
InChI Key SDLFAEGTVBPHBK-UHFFFAOYSA-N
Molecular Formula C5H2ClN3
5

4-Iodo-5-methyl-isoxazole, 97%, Thermo Scientific™

CAS: 7064-38-2 Molecular Formula: C28H36N4O6S2 Molecular Weight (g/mol): 588.74 MDL Number: MFCD06411541 InChI Key: GDARZPKSXSXRDC-JCMHNJIXNA-N Synonym: 4-iodo-5-methylisoxazole,4-iodo-5-methyl-isoxazole,isoxazole,4-iodo-5-methyl,isoxazole, 4-iodo-5-methyl PubChem CID: 2795461 SMILES: CCCN1C(=O)C(C#N)=C(C)C(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)=C1N1CCCC(C1)C(=O)OCC

PubChem CID 2795461
CAS 7064-38-2
Molecular Weight (g/mol) 588.74
MDL Number MFCD06411541
SMILES CCCN1C(=O)C(C#N)=C(C)C(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)=C1N1CCCC(C1)C(=O)OCC
Synonym 4-iodo-5-methylisoxazole,4-iodo-5-methyl-isoxazole,isoxazole,4-iodo-5-methyl,isoxazole, 4-iodo-5-methyl
InChI Key GDARZPKSXSXRDC-JCMHNJIXNA-N
Molecular Formula C28H36N4O6S2
6

3-Chloro-2-(chloromethyl)-5-(trifluoromethyl)pyridine, 97%, Thermo Scientific™

CAS: 175277-52-8 Molecular Formula: C7H4Cl2F3N Molecular Weight (g/mol): 230.011 MDL Number: MFCD00173852 InChI Key: NUSXEDNPFNWFDQ-UHFFFAOYSA-N PubChem CID: 22058750 IUPAC Name: 3-chloro-2-(chloromethyl)-5-(trifluoromethyl)pyridine SMILES: C1=C(C=NC(=C1Cl)CCl)C(F)(F)F

PubChem CID 22058750
CAS 175277-52-8
Molecular Weight (g/mol) 230.011
MDL Number MFCD00173852
SMILES C1=C(C=NC(=C1Cl)CCl)C(F)(F)F
IUPAC Name 3-chloro-2-(chloromethyl)-5-(trifluoromethyl)pyridine
InChI Key NUSXEDNPFNWFDQ-UHFFFAOYSA-N
Molecular Formula C7H4Cl2F3N
7

4-(3-Bromothien-2-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 930111-09-4 Molecular Formula: C11H7BrO2S Molecular Weight (g/mol): 283.14 MDL Number: MFCD09879966 InChI Key: WAOAWGITQLHUFM-UHFFFAOYSA-N Synonym: 4-3-bromothien-2-yl benzoic acid,4-3-bromothiophen-2-yl benzoic acid PubChem CID: 24229749 IUPAC Name: 4-(3-bromothiophen-2-yl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)C1=C(Br)C=CS1

PubChem CID 24229749
CAS 930111-09-4
Molecular Weight (g/mol) 283.14
MDL Number MFCD09879966
SMILES OC(=O)C1=CC=C(C=C1)C1=C(Br)C=CS1
Synonym 4-3-bromothien-2-yl benzoic acid,4-3-bromothiophen-2-yl benzoic acid
IUPAC Name 4-(3-bromothiophen-2-yl)benzoic acid
InChI Key WAOAWGITQLHUFM-UHFFFAOYSA-N
Molecular Formula C11H7BrO2S
8

2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid, 95%, Thermo Scientific™

CAS: 51527-19-6 Molecular Formula: C11H9ClO2S Molecular Weight (g/mol): 240.70 MDL Number: MFCD00052300 InChI Key: QNJIHQOPIPJYLU-UHFFFAOYSA-N Synonym: 2-5-chloro-3-methylbenzo b thiophen-2-yl acetic acid,tianafac,5-chloro-3-methylbenzo b thiophene-2-acetic acid,unii-p0t3zrk3xv,p0t3zrk3xv,2-5-chloro-3-methyl-1-benzothiophen-2-yl acetic acid,tianafacum,tianafaco,tianafac inn PubChem CID: 68686 IUPAC Name: 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid SMILES: CC1=C(CC(O)=O)SC2=CC=C(Cl)C=C12

PubChem CID 68686
CAS 51527-19-6
Molecular Weight (g/mol) 240.70
MDL Number MFCD00052300
SMILES CC1=C(CC(O)=O)SC2=CC=C(Cl)C=C12
Synonym 2-5-chloro-3-methylbenzo b thiophen-2-yl acetic acid,tianafac,5-chloro-3-methylbenzo b thiophene-2-acetic acid,unii-p0t3zrk3xv,p0t3zrk3xv,2-5-chloro-3-methyl-1-benzothiophen-2-yl acetic acid,tianafacum,tianafaco,tianafac inn
IUPAC Name 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid
InChI Key QNJIHQOPIPJYLU-UHFFFAOYSA-N
Molecular Formula C11H9ClO2S
9

5-Iodo-2-phenoxypyridine, ≥95%, Thermo Scientific™

CAS: 352018-92-9 Molecular Formula: C11H8INO Molecular Weight (g/mol): 297.095 MDL Number: MFCD02681952 InChI Key: JCEXQQNAXWYXRX-UHFFFAOYSA-N Synonym: 5-iodo-2-phenoxy-pyridine,pyridine,5-iodo-2-phenoxy PubChem CID: 2776503 IUPAC Name: 5-iodo-2-phenoxypyridine SMILES: C1=CC=C(C=C1)OC2=NC=C(C=C2)I

PubChem CID 2776503
CAS 352018-92-9
Molecular Weight (g/mol) 297.095
MDL Number MFCD02681952
SMILES C1=CC=C(C=C1)OC2=NC=C(C=C2)I
Synonym 5-iodo-2-phenoxy-pyridine,pyridine,5-iodo-2-phenoxy
IUPAC Name 5-iodo-2-phenoxypyridine
InChI Key JCEXQQNAXWYXRX-UHFFFAOYSA-N
Molecular Formula C11H8INO
10

5-Bromo-1H-benzimidazole, 97%, Thermo Scientific™

CAS: 4887-88-1 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.04 MDL Number: MFCD00160001 InChI Key: GEDVWGDBMPJNEV-UHFFFAOYSA-N Synonym: 5-bromo-1h-benzimidazole,5-bromo-1h-benzo d imidazole,5-bromo-1h-1,3-benzodiazole,5-bromobenzimidazole,1h-benzimidazole, 5-bromo,5-bromo-3h-1,3-benzodiazole,6-bromobenzimidazole,5-bromo-benzimidazole,6-bromo benzimidazole,pubchem9618 PubChem CID: 785299 SMILES: BrC1=CC=C2N=CNC2=C1

PubChem CID 785299
CAS 4887-88-1
Molecular Weight (g/mol) 197.04
MDL Number MFCD00160001
SMILES BrC1=CC=C2N=CNC2=C1
Synonym 5-bromo-1h-benzimidazole,5-bromo-1h-benzo d imidazole,5-bromo-1h-1,3-benzodiazole,5-bromobenzimidazole,1h-benzimidazole, 5-bromo,5-bromo-3h-1,3-benzodiazole,6-bromobenzimidazole,5-bromo-benzimidazole,6-bromo benzimidazole,pubchem9618
InChI Key GEDVWGDBMPJNEV-UHFFFAOYSA-N
Molecular Formula C7H5BrN2
11

4-iodo-2-methyl-1H-imidazole, Thermo Scientific™

CAS: 73746-45-9 Molecular Formula: C4H5IN2 Molecular Weight (g/mol): 208.00 MDL Number: MFCD02684335 InChI Key: SEDSLMWYUQACGR-UHFFFAOYSA-N PubChem CID: 2794623 IUPAC Name: 5-iodo-2-methyl-1H-imidazole SMILES: CC1=NC=C(I)N1

PubChem CID 2794623
CAS 73746-45-9
Molecular Weight (g/mol) 208.00
MDL Number MFCD02684335
SMILES CC1=NC=C(I)N1
IUPAC Name 5-iodo-2-methyl-1H-imidazole
InChI Key SEDSLMWYUQACGR-UHFFFAOYSA-N
Molecular Formula C4H5IN2
12

5-Bromo-3-(chloromethyl)-1-benzothiophene, ≥97%, Thermo Scientific™

CAS: 852180-53-1 Molecular Formula: C9H6BrClS Molecular Weight (g/mol): 261.561 MDL Number: MFCD07772810 InChI Key: ZIOALKCKGFEWMX-UHFFFAOYSA-N PubChem CID: 7164583 IUPAC Name: 5-bromo-3-(chloromethyl)-1-benzothiophene SMILES: C1=CC2=C(C=C1Br)C(=CS2)CCl

PubChem CID 7164583
CAS 852180-53-1
Molecular Weight (g/mol) 261.561
MDL Number MFCD07772810
SMILES C1=CC2=C(C=C1Br)C(=CS2)CCl
IUPAC Name 5-bromo-3-(chloromethyl)-1-benzothiophene
InChI Key ZIOALKCKGFEWMX-UHFFFAOYSA-N
Molecular Formula C9H6BrClS
13

5-Bromo-2,3-dihydro-1-benzofuran, 97%, Thermo Scientific™

CAS: 66826-78-6 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD02677716 InChI Key: UDWFSJAYXTXMLM-UHFFFAOYSA-N Synonym: 5-bromo-2,3-dihydrobenzofuran,5-bromo-2,3-dihydrobenzo b furan,5-bromocoumaran,benzofuran, 5-bromo-2,3-dihydro,2,3-dihydro-5-bromobenzofuran,buttpark 36\18-16,pubchem7055,5-bromo-2,3 dihydrobenzofuran,acmc-1b981,5-bromo-2,3-dihydro-benzofuran PubChem CID: 2776159 IUPAC Name: 5-bromo-2,3-dihydro-1-benzofuran SMILES: BrC1=CC2=C(OCC2)C=C1

PubChem CID 2776159
CAS 66826-78-6
Molecular Weight (g/mol) 199.05
MDL Number MFCD02677716
SMILES BrC1=CC2=C(OCC2)C=C1
Synonym 5-bromo-2,3-dihydrobenzofuran,5-bromo-2,3-dihydrobenzo b furan,5-bromocoumaran,benzofuran, 5-bromo-2,3-dihydro,2,3-dihydro-5-bromobenzofuran,buttpark 36\18-16,pubchem7055,5-bromo-2,3 dihydrobenzofuran,acmc-1b981,5-bromo-2,3-dihydro-benzofuran
IUPAC Name 5-bromo-2,3-dihydro-1-benzofuran
InChI Key UDWFSJAYXTXMLM-UHFFFAOYSA-N
Molecular Formula C8H7BrO
14

3-Bromo-4H-chromen-4-one, 97%, Thermo Scientific™

CAS: 49619-82-1 Molecular Formula: C9H5BrO2 Molecular Weight (g/mol): 225.041 MDL Number: MFCD00017337 InChI Key: IQIGYNPOESZBDJ-UHFFFAOYSA-N Synonym: 3-bromochromone,3-bromo-4h-chromen-4-one,3-bromo-4-oxo-4h-1-benzopyran,3-bromo chromone,maybridge1_006104,acmc-209kh2,3-bromo-4h-chromen-4-one #,3-bromo-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,3-bromo PubChem CID: 521256 IUPAC Name: 3-bromochromen-4-one SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)Br

PubChem CID 521256
CAS 49619-82-1
Molecular Weight (g/mol) 225.041
MDL Number MFCD00017337
SMILES C1=CC=C2C(=C1)C(=O)C(=CO2)Br
Synonym 3-bromochromone,3-bromo-4h-chromen-4-one,3-bromo-4-oxo-4h-1-benzopyran,3-bromo chromone,maybridge1_006104,acmc-209kh2,3-bromo-4h-chromen-4-one #,3-bromo-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one,3-bromo
IUPAC Name 3-bromochromen-4-one
InChI Key IQIGYNPOESZBDJ-UHFFFAOYSA-N
Molecular Formula C9H5BrO2
15

(4-Bromo-1-methyl-1H-pyrazol-3-yl)methanol, ≥97%, Thermo Scientific™

CAS: 915707-65-2 Molecular Formula: C5H7BrN2O Molecular Weight (g/mol): 191.028 MDL Number: MFCD06202888 InChI Key: JFGLJTFTVBZOCB-UHFFFAOYSA-N Synonym: 4-bromo-1-methyl-1h-pyrazol-3-yl methanol,4-bromo-1-methylpyrazol-3-yl methanol,4-bromo-3-hydroxymethyl-1-methyl-1h-pyrazole,4-bromo-1-methylpyrazol-3-yl methan-1-ol,pubchem23717 PubChem CID: 24229713 IUPAC Name: (4-bromo-1-methylpyrazol-3-yl)methanol SMILES: CN1C=C(C(=N1)CO)Br

PubChem CID 24229713
CAS 915707-65-2
Molecular Weight (g/mol) 191.028
MDL Number MFCD06202888
SMILES CN1C=C(C(=N1)CO)Br
Synonym 4-bromo-1-methyl-1h-pyrazol-3-yl methanol,4-bromo-1-methylpyrazol-3-yl methanol,4-bromo-3-hydroxymethyl-1-methyl-1h-pyrazole,4-bromo-1-methylpyrazol-3-yl methan-1-ol,pubchem23717
IUPAC Name (4-bromo-1-methylpyrazol-3-yl)methanol
InChI Key JFGLJTFTVBZOCB-UHFFFAOYSA-N
Molecular Formula C5H7BrN2O