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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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1,2,4-Trichlorobenzene (HPLC), Fisher Chemical

CAS: 120-82-1 Molecular Formula: C6H3Cl3 Molecular Weight (g/mol): 181.44 MDL Number: MFCD00000547 InChI Key: PBKONEOXTCPAFI-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trichloro,unsym-trichlorobenzene,hostetex l-pec,trojchlorobenzen,1,2,4-trichlorbenzol,1,2,4-trichlorobenzol,1,3,4-trichlorobenzene,trichlorobenzene a,1,2,5-trichlorobenzene,as-trichlorobenzene PubChem CID: 13 ChEBI: CHEBI:28222 IUPAC Name: 1,2,4-trichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Cl

PubChem CID 13
CAS 120-82-1
Molecular Weight (g/mol) 181.44
ChEBI CHEBI:28222
MDL Number MFCD00000547
SMILES C1=CC(=C(C=C1Cl)Cl)Cl
Synonym benzene, 1,2,4-trichloro,unsym-trichlorobenzene,hostetex l-pec,trojchlorobenzen,1,2,4-trichlorbenzol,1,2,4-trichlorobenzol,1,3,4-trichlorobenzene,trichlorobenzene a,1,2,5-trichlorobenzene,as-trichlorobenzene
IUPAC Name 1,2,4-trichlorobenzene
InChI Key PBKONEOXTCPAFI-UHFFFAOYSA-N
Molecular Formula C6H3Cl3
2

Chlorobenzene (Laboratory), Fisher Chemical™

CAS: 108-90-7 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 112.556 MDL Number: MFCD00000530 InChI Key: MVPPADPHJFYWMZ-UHFFFAOYSA-N Synonym: monochlorobenzene,benzene chloride,phenyl chloride,benzene, chloro,chlorbenzene,chlorobenzol,monochlorbenzol,chlorbenzol,chlorobenzen,clorobenzene PubChem CID: 7964 ChEBI: CHEBI:28097 IUPAC Name: chlorobenzene SMILES: C1=CC=C(C=C1)Cl

PubChem CID 7964
CAS 108-90-7
Molecular Weight (g/mol) 112.556
ChEBI CHEBI:28097
MDL Number MFCD00000530
SMILES C1=CC=C(C=C1)Cl
Synonym monochlorobenzene,benzene chloride,phenyl chloride,benzene, chloro,chlorbenzene,chlorobenzol,monochlorbenzol,chlorbenzol,chlorobenzen,clorobenzene
IUPAC Name chlorobenzene
InChI Key MVPPADPHJFYWMZ-UHFFFAOYSA-N
Molecular Formula C6H5Cl
3

4-Chlorophenyl isocyanate, 98%

CAS: 104-12-1 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.565 MDL Number: MFCD00002024 InChI Key: ADAKRBAJFHTIEW-UHFFFAOYSA-N Synonym: 4-chlorophenyl isocyanate,p-chlorophenyl isocyanate,benzene, 1-chloro-4-isocyanato,pcpi,4-chloroisocyanatobenzene,para-chlorophenyl isocyanate,p-chlorfenylisokyanat,4-chlorophenylisocyanate,isocyanic acid, p-chlorophenyl ester,1-chloro-4-isocyanato-benzene PubChem CID: 7693 IUPAC Name: 1-chloro-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)Cl

PubChem CID 7693
CAS 104-12-1
Molecular Weight (g/mol) 153.565
MDL Number MFCD00002024
SMILES C1=CC(=CC=C1N=C=O)Cl
Synonym 4-chlorophenyl isocyanate,p-chlorophenyl isocyanate,benzene, 1-chloro-4-isocyanato,pcpi,4-chloroisocyanatobenzene,para-chlorophenyl isocyanate,p-chlorfenylisokyanat,4-chlorophenylisocyanate,isocyanic acid, p-chlorophenyl ester,1-chloro-4-isocyanato-benzene
IUPAC Name 1-chloro-4-isocyanatobenzene
InChI Key ADAKRBAJFHTIEW-UHFFFAOYSA-N
Molecular Formula C7H4ClNO
4

1,2,4-Trichlorobenzene, CHROMASOLV™, ≥99%, Honeywell Riedel-de Haën™

CAS: 120-82-1 Molecular Formula: C6H3Cl3 Molecular Weight (g/mol): 181.44 MDL Number: MFCD00000547 InChI Key: PBKONEOXTCPAFI-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trichloro,unsym-trichlorobenzene,hostetex l-pec,trojchlorobenzen,1,2,4-trichlorbenzol,1,2,4-trichlorobenzol,1,3,4-trichlorobenzene,trichlorobenzene a,1,2,5-trichlorobenzene,as-trichlorobenzene PubChem CID: 13 ChEBI: CHEBI:28222 IUPAC Name: 1,2,4-trichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Cl

PubChem CID 13
CAS 120-82-1
Molecular Weight (g/mol) 181.44
ChEBI CHEBI:28222
MDL Number MFCD00000547
SMILES C1=CC(=C(C=C1Cl)Cl)Cl
Synonym benzene, 1,2,4-trichloro,unsym-trichlorobenzene,hostetex l-pec,trojchlorobenzen,1,2,4-trichlorbenzol,1,2,4-trichlorobenzol,1,3,4-trichlorobenzene,trichlorobenzene a,1,2,5-trichlorobenzene,as-trichlorobenzene
IUPAC Name 1,2,4-trichlorobenzene
InChI Key PBKONEOXTCPAFI-UHFFFAOYSA-N
Molecular Formula C6H3Cl3
5

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
6

2-Chloro-6-methylphenyl isocyanate, 97%

CAS: 40398-01-4 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.592 MDL Number: MFCD00037030 InChI Key: FBTQQNYGMICJQZ-UHFFFAOYSA-N Synonym: 2-chloro-6-methylphenyl isocyanate,2-chloro-6-methylphenylisocyanate,benzene, 1-chloro-2-isocyanato-3-methyl,acmc-1ake5,2-chloro-6-methylbenzenisocyanate,2-chloro 6-methyl phenylisocyanate,2-chloro 6-methyl phenyl isocyanate,2-chloro-1-isocyanato-6-methyl benzene,1-chloro-2-isocyanato-3-methyl-benzene,6-chloro-2-methylphenylisocyanate PubChem CID: 268123 IUPAC Name: 1-chloro-2-isocyanato-3-methylbenzene SMILES: CC1=C(C(=CC=C1)Cl)N=C=O

PubChem CID 268123
CAS 40398-01-4
Molecular Weight (g/mol) 167.592
MDL Number MFCD00037030
SMILES CC1=C(C(=CC=C1)Cl)N=C=O
Synonym 2-chloro-6-methylphenyl isocyanate,2-chloro-6-methylphenylisocyanate,benzene, 1-chloro-2-isocyanato-3-methyl,acmc-1ake5,2-chloro-6-methylbenzenisocyanate,2-chloro 6-methyl phenylisocyanate,2-chloro 6-methyl phenyl isocyanate,2-chloro-1-isocyanato-6-methyl benzene,1-chloro-2-isocyanato-3-methyl-benzene,6-chloro-2-methylphenylisocyanate
IUPAC Name 1-chloro-2-isocyanato-3-methylbenzene
InChI Key FBTQQNYGMICJQZ-UHFFFAOYSA-N
Molecular Formula C8H6ClNO
7

3-Chloro-4-methylphenyl isocyanate, 98%

CAS: 28479-22-3 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD00013858 InChI Key: UKTKKMZDESVUEE-UHFFFAOYSA-N Synonym: 3-chloro-4-methylphenyl isocyanate,3-chloro-4-methylphenylisocyanate,benzene, 2-chloro-4-isocyanato-1-methyl,3-chloro-p-tolyl isocyanate,isocyanic acid 3-chloro-4-methylphenyl ester,3-chloro-4-methyl phenyl isocyanate,acmc-1ar7g,3-chlor-4-methylphenylisocyanat,2-chloro-4-isocyanato toluene,3-chloro-4-methylphenyl isocyanate un2236 poison PubChem CID: 62832 IUPAC Name: 2-chloro-4-isocyanato-1-methylbenzene SMILES: CC1=CC=C(C=C1Cl)N=C=O

PubChem CID 62832
CAS 28479-22-3
Molecular Weight (g/mol) 167.59
MDL Number MFCD00013858
SMILES CC1=CC=C(C=C1Cl)N=C=O
Synonym 3-chloro-4-methylphenyl isocyanate,3-chloro-4-methylphenylisocyanate,benzene, 2-chloro-4-isocyanato-1-methyl,3-chloro-p-tolyl isocyanate,isocyanic acid 3-chloro-4-methylphenyl ester,3-chloro-4-methyl phenyl isocyanate,acmc-1ar7g,3-chlor-4-methylphenylisocyanat,2-chloro-4-isocyanato toluene,3-chloro-4-methylphenyl isocyanate un2236 poison
IUPAC Name 2-chloro-4-isocyanato-1-methylbenzene
InChI Key UKTKKMZDESVUEE-UHFFFAOYSA-N
Molecular Formula C8H6ClNO
8

5-Bromo-2-chlorotoluene, 98%

CAS: 54932-72-8 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00018503 InChI Key: OZFQMHJKAODEON-UHFFFAOYSA-N Synonym: 5-bromo-2-chlorotoluene,benzene, 4-bromo-1-chloro-2-methyl,2-chloro-5-bromotoluene,pubchem3604,5-bromo-2-chlorotoulene,acmc-209lk8,ksc493o2d,ozfqmhjkaodeon-uhfffaoysa,attercop-chm at115283 PubChem CID: 609899 IUPAC Name: 4-bromo-1-chloro-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)Cl

PubChem CID 609899
CAS 54932-72-8
Molecular Weight (g/mol) 205.479
MDL Number MFCD00018503
SMILES CC1=C(C=CC(=C1)Br)Cl
Synonym 5-bromo-2-chlorotoluene,benzene, 4-bromo-1-chloro-2-methyl,2-chloro-5-bromotoluene,pubchem3604,5-bromo-2-chlorotoulene,acmc-209lk8,ksc493o2d,ozfqmhjkaodeon-uhfffaoysa,attercop-chm at115283
IUPAC Name 4-bromo-1-chloro-2-methylbenzene
InChI Key OZFQMHJKAODEON-UHFFFAOYSA-N
Molecular Formula C7H6BrCl
9

3-(4-Chlorophenoxy)-1,2-propanediol, 99%

CAS: 104-29-0 Molecular Formula: C9H11ClO3 Molecular Weight (g/mol): 202.634 MDL Number: MFCD00021990 InChI Key: MXOAEAUPQDYUQM-UHFFFAOYSA-N Synonym: chlorphenesin,3-4-chlorophenoxy-1,2-propanediol,3-4-chlorophenoxy propane-1,2-diol,chlorophenesin,chlorphenesinum,adermykon,gecophen,demykon,mycil,chlorphenesine PubChem CID: 7697 ChEBI: CHEBI:3642 IUPAC Name: 3-(4-chlorophenoxy)propane-1,2-diol SMILES: C1=CC(=CC=C1OCC(CO)O)Cl

PubChem CID 7697
CAS 104-29-0
Molecular Weight (g/mol) 202.634
ChEBI CHEBI:3642
MDL Number MFCD00021990
SMILES C1=CC(=CC=C1OCC(CO)O)Cl
Synonym chlorphenesin,3-4-chlorophenoxy-1,2-propanediol,3-4-chlorophenoxy propane-1,2-diol,chlorophenesin,chlorphenesinum,adermykon,gecophen,demykon,mycil,chlorphenesine
IUPAC Name 3-(4-chlorophenoxy)propane-1,2-diol
InChI Key MXOAEAUPQDYUQM-UHFFFAOYSA-N
Molecular Formula C9H11ClO3
10

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
11

4-Chlorophenyl isothiocyanate, 98%

CAS: 2131-55-7 Molecular Formula: C7H4ClNS Molecular Weight (g/mol): 169.626 MDL Number: MFCD00004810 InChI Key: MZZVFXMTZTVUFO-UHFFFAOYSA-N PubChem CID: 16480 IUPAC Name: 1-chloro-4-isothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)Cl

PubChem CID 16480
CAS 2131-55-7
Molecular Weight (g/mol) 169.626
MDL Number MFCD00004810
SMILES C1=CC(=CC=C1N=C=S)Cl
IUPAC Name 1-chloro-4-isothiocyanatobenzene
InChI Key MZZVFXMTZTVUFO-UHFFFAOYSA-N
Molecular Formula C7H4ClNS
12

Proguanil hydrochloride, 97%

CAS: 637-32-1 Molecular Formula: C11H16ClN5·HCl Molecular Weight (g/mol): 290.19 InChI Key: SARMGXPVOFNNNG-UHFFFAOYSA-N Synonym: proguanil hydrochloride,diguanyl,paludrine,proguanil hcl,chlorguanide hydrochloride,chloroquanil,bigumalum,chloroguanide hydrochloride,tirian hydrochloride,palusil hydrochloride PubChem CID: 9570076 IUPAC Name: (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride SMILES: CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl

PubChem CID 9570076
CAS 637-32-1
Molecular Weight (g/mol) 290.19
SMILES CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl.Cl
Synonym proguanil hydrochloride,diguanyl,paludrine,proguanil hcl,chlorguanide hydrochloride,chloroquanil,bigumalum,chloroguanide hydrochloride,tirian hydrochloride,palusil hydrochloride
IUPAC Name (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
InChI Key SARMGXPVOFNNNG-UHFFFAOYSA-N
Molecular Formula C11H16ClN5·HCl
13

2-Chlorophenyl isothiocyanate, 97%

CAS: 2740-81-0 Molecular Formula: C7H4ClNS Molecular Weight (g/mol): 169.626 MDL Number: MFCD00004801 InChI Key: DASSPOJBUMBXLU-UHFFFAOYSA-N Synonym: 2-chlorophenyl isothiocyanate,2-chlorophenylisothiocyanate,benzene, 1-chloro-2-isothiocyanato,benzene, chloroisothiocyanato,1-chloro-2-isothiocyanato-benzene,isothiocyanic acid 2-chlorophenyl ester,2-chlorobenzenisothiocyanate,acmc-1ccw5,o-chlorophenylisothiocyanate,o-chlorophenyl isothiocyanate PubChem CID: 123171 IUPAC Name: 1-chloro-2-isothiocyanatobenzene SMILES: C1=CC=C(C(=C1)N=C=S)Cl

PubChem CID 123171
CAS 2740-81-0
Molecular Weight (g/mol) 169.626
MDL Number MFCD00004801
SMILES C1=CC=C(C(=C1)N=C=S)Cl
Synonym 2-chlorophenyl isothiocyanate,2-chlorophenylisothiocyanate,benzene, 1-chloro-2-isothiocyanato,benzene, chloroisothiocyanato,1-chloro-2-isothiocyanato-benzene,isothiocyanic acid 2-chlorophenyl ester,2-chlorobenzenisothiocyanate,acmc-1ccw5,o-chlorophenylisothiocyanate,o-chlorophenyl isothiocyanate
IUPAC Name 1-chloro-2-isothiocyanatobenzene
InChI Key DASSPOJBUMBXLU-UHFFFAOYSA-N
Molecular Formula C7H4ClNS
14

3-chloro-5-fluoroaniline, 97%

CAS: 4863-91-6 Molecular Formula: C6H5ClFN Molecular Weight (g/mol): 145.56 MDL Number: MFCD03407962 InChI Key: LPIFAHAICWJMRR-UHFFFAOYSA-N Synonym: pubchem2953,acmc-209kdj,3-chloro-5-fluorobenzenamine,5-chloro-3-fluorophenylamine,ksc493m9f,3-chloro-5-fluoro-phenylamine,buttpark 44\01-96 PubChem CID: 2734838 IUPAC Name: 3-chloro-5-fluoroaniline SMILES: C1=C(C=C(C=C1F)Cl)N

PubChem CID 2734838
CAS 4863-91-6
Molecular Weight (g/mol) 145.56
MDL Number MFCD03407962
SMILES C1=C(C=C(C=C1F)Cl)N
Synonym pubchem2953,acmc-209kdj,3-chloro-5-fluorobenzenamine,5-chloro-3-fluorophenylamine,ksc493m9f,3-chloro-5-fluoro-phenylamine,buttpark 44\01-96
IUPAC Name 3-chloro-5-fluoroaniline
InChI Key LPIFAHAICWJMRR-UHFFFAOYSA-N
Molecular Formula C6H5ClFN
15

3-Chloro-4-methylphenylmagnesium bromide, 0.50 M in 2-MeTHF

CAS: 515158-85-7 Molecular Formula: C7H6BrClMg Molecular Weight (g/mol): 229.78 MDL Number: MFCD11553191 InChI Key: MYJXIKNUSSYMAS-UHFFFAOYSA-M Synonym: 3-chloro-4-methylphenylmagnesium bromide,magnesium, bromo 3-chloro-4-methylphenyl,3-chloro-4-methylphenylmagnesium bromide, 0.50 m in 2-methf,grignard reagent PubChem CID: 24807894 IUPAC Name: magnesium;1-chloro-2-methylbenzene-5-ide;bromide SMILES: CC1=CC=C([Mg]Br)C=C1Cl

PubChem CID 24807894
CAS 515158-85-7
Molecular Weight (g/mol) 229.78
MDL Number MFCD11553191
SMILES CC1=CC=C([Mg]Br)C=C1Cl
Synonym 3-chloro-4-methylphenylmagnesium bromide,magnesium, bromo 3-chloro-4-methylphenyl,3-chloro-4-methylphenylmagnesium bromide, 0.50 m in 2-methf,grignard reagent
IUPAC Name magnesium;1-chloro-2-methylbenzene-5-ide;bromide
InChI Key MYJXIKNUSSYMAS-UHFFFAOYSA-M
Molecular Formula C7H6BrClMg