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Chlorobenzene

Chlorobenzene is a toxic, flammable, volatile, aromatic, organic liquid with the chemical formula C6H5Cl. Available in a variety of quantities and purities, it is a common solvent and a widely used intermediate in the manufacture of other chemicals.

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1

4-(4-Chlorophenyl)cyclohexanecarboxylic acid, 97%, Thermo Scientific™

CAS: 95233-37-7 Molecular Formula: C13H15ClO2 Molecular Weight (g/mol): 238.711 MDL Number: MFCD06797626 InChI Key: NXXDIEYTMQYWJU-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl cyclohexanecarboxylic acid,trans-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4-chlorophenyl cyclohexane-1-carboxylic acid,e-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4'-chlorophenyl cyclohexancarboxylic acid,cis-4-4-chlorophenyl cyclohexanecarboxylic acid,atovaquone related compound 1,cyclohexanecarboxylic acid, 4-4-chlorophenyl-, trans,1r,4r-4-4-chlorophenyl cyclohexane-1-carboxylic acid,cyclohexanecarboxylic acid, 4-4-chlorophenyl PubChem CID: 2735792 IUPAC Name: 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O

PubChem CID 2735792
CAS 95233-37-7
Molecular Weight (g/mol) 238.711
MDL Number MFCD06797626
SMILES C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
Synonym 4-4-chlorophenyl cyclohexanecarboxylic acid,trans-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4-chlorophenyl cyclohexane-1-carboxylic acid,e-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4'-chlorophenyl cyclohexancarboxylic acid,cis-4-4-chlorophenyl cyclohexanecarboxylic acid,atovaquone related compound 1,cyclohexanecarboxylic acid, 4-4-chlorophenyl-, trans,1r,4r-4-4-chlorophenyl cyclohexane-1-carboxylic acid,cyclohexanecarboxylic acid, 4-4-chlorophenyl
IUPAC Name 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
InChI Key NXXDIEYTMQYWJU-UHFFFAOYSA-N
Molecular Formula C13H15ClO2
2

Robenidine hydrochloride, 98%, Thermo Scientific™

CAS: 25875-50-7 Molecular Formula: C15H14Cl3N5 Molecular Weight (g/mol): 370.66 MDL Number: MFCD01724404 InChI Key: LTWIBTYLSRDGHP-IQGUDRQUSA-N Synonym: robenidine hydrochloride,robenidine hcl,unii-8stt15y392,1,3-bis 4-chlorobenzylidene amino guanidine monohydrochloride,c15h13cl2n5.hcl,1,3-bis e-4-chlorophenyl methylideneamino guanidine;hydrochloride,chimcoccid hydrochloride,khimcoccid hydrochloride,1,3-bis 4-chlorobenzylideneamino guanidine hydrochloride PubChem CID: 16212175 IUPAC Name: 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride SMILES: [Cl-].N\C(N[NH+]=CC1=CC=C(Cl)C=C1)=N/N=C/C1=CC=C(Cl)C=C1

PubChem CID 16212175
CAS 25875-50-7
Molecular Weight (g/mol) 370.66
MDL Number MFCD01724404
SMILES [Cl-].N\C(N[NH+]=CC1=CC=C(Cl)C=C1)=N/N=C/C1=CC=C(Cl)C=C1
Synonym robenidine hydrochloride,robenidine hcl,unii-8stt15y392,1,3-bis 4-chlorobenzylidene amino guanidine monohydrochloride,c15h13cl2n5.hcl,1,3-bis e-4-chlorophenyl methylideneamino guanidine;hydrochloride,chimcoccid hydrochloride,khimcoccid hydrochloride,1,3-bis 4-chlorobenzylideneamino guanidine hydrochloride
IUPAC Name 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
InChI Key LTWIBTYLSRDGHP-IQGUDRQUSA-N
Molecular Formula C15H14Cl3N5
3

Aceclofenac Ethyl Ester, TRC

CAS: 139272-67-6 Molecular Formula: C18 H17 Cl2 N O4 Molecular Weight (g/mol): 382.24 Synonym: Ethyl [[[2-[(2,6-Dichlorophenyl)amino]phenyl]acetyl]oxy]acetate,Aceclofenac Imp. E (EP),Ethyl Ester of Aceclofenac IUPAC Name: (2-ethoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate SMILES: CCOC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

CAS 139272-67-6
Molecular Weight (g/mol) 382.24
SMILES CCOC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
Synonym Ethyl [[[2-[(2,6-Dichlorophenyl)amino]phenyl]acetyl]oxy]acetate,Aceclofenac Imp. E (EP),Ethyl Ester of Aceclofenac
IUPAC Name (2-ethoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular Formula C18 H17 Cl2 N O4
4

Chlorhexidine Free Base, >85%, MP Biomedicals™

CAS: 55-56-1 Molecular Formula: C22H30Cl2N10 Molecular Weight (g/mol): 505.452 MDL Number: MFCD00009673 InChI Key: GHXZTYHSJHQHIJ-UHFFFAOYSA-N Synonym: chlorhexidine,chlorhexidinum,chlorhexidin,nolvasan,rotersept,tubulicid,fimeil,hexadol,soretol,cloresidina PubChem CID: 9552079 ChEBI: CHEBI:3614 IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl

PubChem CID 9552079
CAS 55-56-1
Molecular Weight (g/mol) 505.452
ChEBI CHEBI:3614
MDL Number MFCD00009673
SMILES C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
Synonym chlorhexidine,chlorhexidinum,chlorhexidin,nolvasan,rotersept,tubulicid,fimeil,hexadol,soretol,cloresidina
IUPAC Name (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
InChI Key GHXZTYHSJHQHIJ-UHFFFAOYSA-N
Molecular Formula C22H30Cl2N10
5

Chlorhexidine, 98%, Thermo Scientific Chemicals

CAS: 55-56-1 Molecular Formula: C22H30Cl2N10 Molecular Weight (g/mol): 505.45 InChI Key: GHXZTYHSJHQHIJ-UHFFFAOYSA-N Synonym: chlorhexidine,chlorhexidinum,chlorhexidin,nolvasan,rotersept,tubulicid,fimeil,hexadol,soretol,cloresidina PubChem CID: 9552079 ChEBI: CHEBI:3614 IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl

PubChem CID 9552079
CAS 55-56-1
Molecular Weight (g/mol) 505.45
ChEBI CHEBI:3614
SMILES C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
Synonym chlorhexidine,chlorhexidinum,chlorhexidin,nolvasan,rotersept,tubulicid,fimeil,hexadol,soretol,cloresidina
IUPAC Name (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
InChI Key GHXZTYHSJHQHIJ-UHFFFAOYSA-N
Molecular Formula C22H30Cl2N10
6

trans-4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid, 98%

CAS: 49708-81-8 Molecular Formula: C13H15ClO2 Molecular Weight (g/mol): 238.711 MDL Number: MFCD06797626 InChI Key: NXXDIEYTMQYWJU-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl cyclohexanecarboxylic acid,trans-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4-chlorophenyl cyclohexane-1-carboxylic acid,e-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4'-chlorophenyl cyclohexancarboxylic acid,cis-4-4-chlorophenyl cyclohexanecarboxylic acid,atovaquone related compound 1,cyclohexanecarboxylic acid, 4-4-chlorophenyl-, trans,1r,4r-4-4-chlorophenyl cyclohexane-1-carboxylic acid,cyclohexanecarboxylic acid, 4-4-chlorophenyl PubChem CID: 2735792 IUPAC Name: 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O

PubChem CID 2735792
CAS 49708-81-8
Molecular Weight (g/mol) 238.711
MDL Number MFCD06797626
SMILES C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
Synonym 4-4-chlorophenyl cyclohexanecarboxylic acid,trans-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4-chlorophenyl cyclohexane-1-carboxylic acid,e-4-4-chlorophenyl cyclohexanecarboxylic acid,4-4'-chlorophenyl cyclohexancarboxylic acid,cis-4-4-chlorophenyl cyclohexanecarboxylic acid,atovaquone related compound 1,cyclohexanecarboxylic acid, 4-4-chlorophenyl-, trans,1r,4r-4-4-chlorophenyl cyclohexane-1-carboxylic acid,cyclohexanecarboxylic acid, 4-4-chlorophenyl
IUPAC Name 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
InChI Key NXXDIEYTMQYWJU-UHFFFAOYSA-N
Molecular Formula C13H15ClO2
7

Triticonazole, TRC

CAS: 131983-72-7 Molecular Formula: C17 H20 Cl N3 O Molecular Weight (g/mol): 317.81 Synonym: (5E)-5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol (ACI),(E)-(4-Chlorobenzylidene)-2,2-dimethyl-1-[1,2,4]triazol-1-ylmethyl-cyclopentanol,Alios,Charter,Premis,Premis 25 FS,Premis T,Premise,Premise (fungicide),Trinity,Triticonazole,Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (E)-,Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (E)-(±)- (ZCI),Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (5E)- (9CI, ACI) IUPAC Name: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol SMILES: CC1(C)CC\C(=C/c2ccc(Cl)cc2)\C1(O)Cn3cncn3

CAS 131983-72-7
Molecular Weight (g/mol) 317.81
SMILES CC1(C)CC\C(=C/c2ccc(Cl)cc2)\C1(O)Cn3cncn3
Synonym (5E)-5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol (ACI),(E)-(4-Chlorobenzylidene)-2,2-dimethyl-1-[1,2,4]triazol-1-ylmethyl-cyclopentanol,Alios,Charter,Premis,Premis 25 FS,Premis T,Premise,Premise (fungicide),Trinity,Triticonazole,Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (E)-,Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (E)-(±)- (ZCI),Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-, (5E)- (9CI, ACI)
IUPAC Name (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Molecular Formula C17 H20 Cl N3 O
8

2-Chlorophenethyl bromide, 95%

CAS: 16793-91-2 Molecular Formula: C8H8BrCl Molecular Weight (g/mol): 219.51 InChI Key: AECBVDLERUETKG-UHFFFAOYSA-N PubChem CID: 2756963 IUPAC Name: 1-(2-bromoethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CCBr)Cl

PubChem CID 2756963
CAS 16793-91-2
Molecular Weight (g/mol) 219.51
SMILES C1=CC=C(C(=C1)CCBr)Cl
IUPAC Name 1-(2-bromoethyl)-2-chlorobenzene
InChI Key AECBVDLERUETKG-UHFFFAOYSA-N
Molecular Formula C8H8BrCl
9

2-Chlorobenzaldehyde thiosemicarbazone, 98%, Thermo Scientific™

CAS: 5706-78-5 Molecular Formula: C8H8ClN3S Molecular Weight (g/mol): 213.68 MDL Number: MFCD00022154 InChI Key: ZGPJVXICCFYSRT-VZUCSPMQSA-N Synonym: o-chlorobenzaldehyde 3-thiosemicarbazone,2-chlorobenzaldehyde thiosemicarbazone,benzaldehyde, o-chloro-, 3-thiosemicarbazone,2-2-chlorobenzylidene hydrazinecarbothioamide,2-chlorophenyl methylidene amino thiourea,e-2-chlorophenyl methylideneamino thiourea,e-2-chlorophenyl methylidene amino thiourea,2-2-chlorobenzylidene hydrazine-1-carbothioamide,hydrazinecarbothioamide, 2-2-chlorophenyl methylene PubChem CID: 6864754 IUPAC Name: [(E)-(2-chlorophenyl)methylideneamino]thiourea SMILES: NC(=S)N\N=C\C1=CC=CC=C1Cl

PubChem CID 6864754
CAS 5706-78-5
Molecular Weight (g/mol) 213.68
MDL Number MFCD00022154
SMILES NC(=S)N\N=C\C1=CC=CC=C1Cl
Synonym o-chlorobenzaldehyde 3-thiosemicarbazone,2-chlorobenzaldehyde thiosemicarbazone,benzaldehyde, o-chloro-, 3-thiosemicarbazone,2-2-chlorobenzylidene hydrazinecarbothioamide,2-chlorophenyl methylidene amino thiourea,e-2-chlorophenyl methylideneamino thiourea,e-2-chlorophenyl methylidene amino thiourea,2-2-chlorobenzylidene hydrazine-1-carbothioamide,hydrazinecarbothioamide, 2-2-chlorophenyl methylene
IUPAC Name [(E)-(2-chlorophenyl)methylideneamino]thiourea
InChI Key ZGPJVXICCFYSRT-VZUCSPMQSA-N
Molecular Formula C8H8ClN3S