Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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616 – 630 of 57,364 results

616

2,3,4,5,6-Pentafluorobenzamide, 99%

CAS: 652-31-3 Molecular Formula: C7H2F5NO Molecular Weight (g/mol): 211.091 MDL Number: MFCD00007971 InChI Key: WPWWHXPRJFDTTJ-UHFFFAOYSA-N PubChem CID: 69547 IUPAC Name: 2,3,4,5,6-pentafluorobenzamide SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N

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Specifications

PubChem CID	69547
CAS	652-31-3
Molecular Weight (g/mol)	211.091
MDL Number	MFCD00007971
SMILES	C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N
IUPAC Name	2,3,4,5,6-pentafluorobenzamide
InChI Key	WPWWHXPRJFDTTJ-UHFFFAOYSA-N
Molecular Formula	C7H2F5NO

617

2,6-Difluorophenyl isocyanate, 97%

CAS: 65295-69-4 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00001998 InChI Key: YXHDLKWTPVMIOH-UHFFFAOYSA-N Synonym: 2,6-difluorophenyl isocyanate,2,6-difluorophenylisocyanate,benzene, 1,3-difluoro-2-isocyanato,2,6-difluorobenzenisocyanate,timtec-bb sbb006664,pubchem5023,acmc-1bcwu,2,6 difluorophenylisocyanate,2,6-difluoro phenyl isocyanate,1-isocyanato-2,6-difluoro benzene PubChem CID: 522162 IUPAC Name: 1,3-difluoro-2-isocyanatobenzene SMILES: C1=CC(=C(C(=C1)F)N=C=O)F

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Specifications

PubChem CID	522162
CAS	65295-69-4
Molecular Weight (g/mol)	155.104
MDL Number	MFCD00001998
SMILES	C1=CC(=C(C(=C1)F)N=C=O)F
Synonym	2,6-difluorophenyl isocyanate,2,6-difluorophenylisocyanate,benzene, 1,3-difluoro-2-isocyanato,2,6-difluorobenzenisocyanate,timtec-bb sbb006664,pubchem5023,acmc-1bcwu,2,6 difluorophenylisocyanate,2,6-difluoro phenyl isocyanate,1-isocyanato-2,6-difluoro benzene
IUPAC Name	1,3-difluoro-2-isocyanatobenzene
InChI Key	YXHDLKWTPVMIOH-UHFFFAOYSA-N
Molecular Formula	C7H3F2NO

618

Xylometazoline Hydrochloride, Spectrum™ Chemical

CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N IUPAC Name: hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride SMILES: [H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C

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Specifications

CAS	1218-35-5
Molecular Weight (g/mol)	280.84
SMILES	[H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C
IUPAC Name	hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride
InChI Key	YGWFCQYETHJKNX-UHFFFAOYSA-N
Molecular Formula	C16H25ClN2

619

4-(Trifluoromethyl)aniline hydrochloride, 97%

CAS: 90774-69-9 Molecular Formula: C7H7ClF3N Molecular Weight (g/mol): 197.585 MDL Number: MFCD00007897 InChI Key: CZGDYZDUMJDQSD-UHFFFAOYSA-N Synonym: 4-aminobenzotrifluoride hydrochloride,4-trifluoromethyl aniline hydrochloride,4-trifluoromethyl anilinium chloride,p-trifluoromethylaniline hydrochloride,4-trifluoromethyl phenylamine, chloride,pubchem2816,4-aminobenzotrifluoride, hydrochloride,4-trifluoromethylaniline hydrochloride,4-trifluoromethyl aniline;hydrochloride,a,a,a-trifluoro-p-toluidine hydrochloride PubChem CID: 2723961 IUPAC Name: 4-(trifluoromethyl)aniline;hydrochloride SMILES: C1=CC(=CC=C1C(F)(F)F)N.Cl

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Specifications

PubChem CID	2723961
CAS	90774-69-9
Molecular Weight (g/mol)	197.585
MDL Number	MFCD00007897
SMILES	C1=CC(=CC=C1C(F)(F)F)N.Cl
Synonym	4-aminobenzotrifluoride hydrochloride,4-trifluoromethyl aniline hydrochloride,4-trifluoromethyl anilinium chloride,p-trifluoromethylaniline hydrochloride,4-trifluoromethyl phenylamine, chloride,pubchem2816,4-aminobenzotrifluoride, hydrochloride,4-trifluoromethylaniline hydrochloride,4-trifluoromethyl aniline;hydrochloride,a,a,a-trifluoro-p-toluidine hydrochloride
IUPAC Name	4-(trifluoromethyl)aniline;hydrochloride
InChI Key	CZGDYZDUMJDQSD-UHFFFAOYSA-N
Molecular Formula	C7H7ClF3N

620

1,2-Benzenedimethanol, 97%

CAS: 612-14-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004626 InChI Key: XMUZQOKACOLCSS-UHFFFAOYSA-N Synonym: 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol PubChem CID: 69153 IUPAC Name: [2-(hydroxymethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1CO

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Specifications

PubChem CID	69153
CAS	612-14-6
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00004626
SMILES	OCC1=CC=CC=C1CO
Synonym	1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol
IUPAC Name	[2-(hydroxymethyl)phenyl]methanol
InChI Key	XMUZQOKACOLCSS-UHFFFAOYSA-N
Molecular Formula	C8H10O2

621

Miconazole, 97%

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

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Specifications

PubChem CID	4189
CAS	22916-47-8
Molecular Weight (g/mol)	416.12
ChEBI	CHEBI:82892
MDL Number	MFCD00216019
SMILES	ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym	miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key	BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula	C18H14Cl4N2O

622

4-Bromo-2-nitrotoluene, 99%

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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Specifications

PubChem CID	123546
CAS	60956-26-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00041243
SMILES	CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name	4-bromo-1-methyl-2-nitrobenzene
InChI Key	KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

623

1-Bromo-4-iodobenzene, 98%

CAS: 589-87-7 Molecular Formula: C₆H₄BrI Molecular Weight (g/mol): 282.9 InChI Key: UCCUXODGPMAHRL-UHFFFAOYSA-N Synonym: 4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene PubChem CID: 11522 IUPAC Name: 1-bromo-4-iodobenzene SMILES: C1=CC(=CC=C1Br)I

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Specifications

PubChem CID	11522
CAS	589-87-7
Molecular Weight (g/mol)	282.9
SMILES	C1=CC(=CC=C1Br)I
Synonym	4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene
IUPAC Name	1-bromo-4-iodobenzene
InChI Key	UCCUXODGPMAHRL-UHFFFAOYSA-N
Molecular Formula	C₆H₄BrI

624

3-Bromofluorobenzene, 99%

CAS: 1073-06-9 Molecular Formula: C₆H₄BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene SMILES: C1=CC(=CC(=C1)Br)F

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Specifications

PubChem CID	14082
CAS	1073-06-9
Molecular Weight (g/mol)	175
MDL Number	MFCD00000326
SMILES	C1=CC(=CC(=C1)Br)F
Synonym	3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo
IUPAC Name	1-bromo-3-fluorobenzene
InChI Key	QDFKKJYEIFBEFC-UHFFFAOYSA-N
Molecular Formula	C₆H₄BrF

625

4-Benzoylbiphenyl, 99%

CAS: 2128-93-0 Molecular Formula: C19H14O Molecular Weight (g/mol): 258.32 MDL Number: MFCD00003079 InChI Key: LYXOWKPVTCPORE-UHFFFAOYSA-N Synonym: 4-benzoylbiphenyl,4-phenylbenzophenone,p-phenylbenzophenone,benzophenone, 4-phenyl,p-benzoylbiphenyl,4-diphenyl phenyl ketone,p-biphenylyl phenyl ketone,trigonal 12,4-biphenylyl phenyl ketone,methanone, 1,1'-biphenyl-4-ylphenyl PubChem CID: 75040 IUPAC Name: phenyl-(4-phenylphenyl)methanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

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Specifications

PubChem CID	75040
CAS	2128-93-0
Molecular Weight (g/mol)	258.32
MDL Number	MFCD00003079
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Synonym	4-benzoylbiphenyl,4-phenylbenzophenone,p-phenylbenzophenone,benzophenone, 4-phenyl,p-benzoylbiphenyl,4-diphenyl phenyl ketone,p-biphenylyl phenyl ketone,trigonal 12,4-biphenylyl phenyl ketone,methanone, 1,1'-biphenyl-4-ylphenyl
IUPAC Name	phenyl-(4-phenylphenyl)methanone
InChI Key	LYXOWKPVTCPORE-UHFFFAOYSA-N
Molecular Formula	C19H14O

626

1,1-Diphenylhydrazine hydrochloride, 98%

CAS: 530-47-2 Molecular Formula: C12H13ClN2 Molecular Weight (g/mol): 220.7 MDL Number: MFCD00012950 InChI Key: MIVUDWFNUOXEJM-UHFFFAOYSA-N Synonym: 1,1-diphenylhydrazine hydrochloride,n,n-diphenylhydrazine hydrochloride,unii-o8100cbz4n,diphenyl hydrazine hydrochloride,hydrazine, 1,1-diphenyl-, monohydrochloride,n,n-diphenylhydrazinium 1+ chloride,1,1-diphenylhydrazine hcl,1,1-diphenylhydrazine monohydrochloride,aminodiphenylamine, chloride,hydrazine, 1,1-diphenyl-, hydrochloride 1:1 PubChem CID: 10738 IUPAC Name: 1,1-diphenylhydrazine;hydrochloride SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl

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Specifications

PubChem CID	10738
CAS	530-47-2
Molecular Weight (g/mol)	220.7
MDL Number	MFCD00012950
SMILES	C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl
Synonym	1,1-diphenylhydrazine hydrochloride,n,n-diphenylhydrazine hydrochloride,unii-o8100cbz4n,diphenyl hydrazine hydrochloride,hydrazine, 1,1-diphenyl-, monohydrochloride,n,n-diphenylhydrazinium 1+ chloride,1,1-diphenylhydrazine hcl,1,1-diphenylhydrazine monohydrochloride,aminodiphenylamine, chloride,hydrazine, 1,1-diphenyl-, hydrochloride 1:1
IUPAC Name	1,1-diphenylhydrazine;hydrochloride
InChI Key	MIVUDWFNUOXEJM-UHFFFAOYSA-N
Molecular Formula	C12H13ClN2

627

5-Sulfosalicylic Acid Dihydrate, 98%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

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Specifications

Molecular Weight (g/mol)	250.27
CAS Min %	97.5
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID	2723734
Percent Purity	98%
Fieser	01,1118
Infrared Spectrum	Authentic
Formula Weight	254.22
Melting Point	106.0°C to 110.0°C
CAS Max %	100.0
Color	White
Physical Form	Crystalline Powder or Crystals
Chemical Name or Material	5-Sulfosalicylic acid dihydrate
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Merck Index	15, 9094
Assay Percent Range	98%
CAS	97-05-2
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if pre
MDL Number	MFCD00007508,MFCD00149540
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed.
Solubility Information	Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether
Packaging	Plastic bottle
Health Hazard 1	GHS Signal Word: Danger
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Beilstein	11, 411
Molecular Formula	C9H14O6S

628

Phenyl phosphorodiamidate, 97%

CAS: 7450-69-3 Molecular Formula: C6H9N2O2P Molecular Weight (g/mol): 172.124 MDL Number: MFCD00014767 InChI Key: AYRRNFHDJUXLEQ-UHFFFAOYSA-N Synonym: phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one PubChem CID: 81954 IUPAC Name: diaminophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(N)N

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Specifications

PubChem CID	81954
CAS	7450-69-3
Molecular Weight (g/mol)	172.124
MDL Number	MFCD00014767
SMILES	C1=CC=C(C=C1)OP(=O)(N)N
Synonym	phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one
IUPAC Name	diaminophosphoryloxybenzene
InChI Key	AYRRNFHDJUXLEQ-UHFFFAOYSA-N
Molecular Formula	C6H9N2O2P

629

(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, 98%

CAS: 76189-55-4 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	634876
CAS	76189-55-4
Molecular Weight (g/mol)	622.69
MDL Number	MFCD00010805
SMILES	C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene
InChI Key	MUALRAIOVNYAIW-UHFFFAOYSA-N
Molecular Formula	C44H32P2

630

Ethyl 4-aminobenzoate, 98%

CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1

Pricing & Availability
Specifications

PubChem CID	2337
CAS	94-09-7
Molecular Weight (g/mol)	165.19
ChEBI	CHEBI:116735
MDL Number	MFCD00007892
SMILES	CCOC(=O)C1=CC=C(N)C=C1
Synonym	benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin
IUPAC Name	ethyl 4-aminobenzoate
InChI Key	BLFLLBZGZJTVJG-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

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Benzene and substituted derivatives

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Xylometazoline Hydrochloride, Spectrum™ Chemical