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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (157)
Phenols (47)
Naphthalenes (8)
Phenol esters (2)
Fluorenes (1)
Naphthacenes (1)

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1

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
2

3-Fluorotoluene 99.0+%, TCI America™
SDP

CAS: 352-70-5 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.13 MDL Number: MFCD00000339 InChI Key: BTQZKHUEUDPRST-UHFFFAOYSA-N Synonym: 3-fluorotoluene,m-fluorotoluene,benzene, 1-fluoro-3-methyl,1-fluoro-3-methyl-benzene,1-methyl-3-fluorobenzene,toluene, m-fluoro,unii-f72w445dq0,3-fluorobenzyl radical,meta-fluorotoluene,acmc-209ifn PubChem CID: 9606 IUPAC Name: 1-fluoro-3-methylbenzene SMILES: CC1=CC=CC(F)=C1

PubChem CID 9606
CAS 352-70-5
Molecular Weight (g/mol) 110.13
MDL Number MFCD00000339
SMILES CC1=CC=CC(F)=C1
Synonym 3-fluorotoluene,m-fluorotoluene,benzene, 1-fluoro-3-methyl,1-fluoro-3-methyl-benzene,1-methyl-3-fluorobenzene,toluene, m-fluoro,unii-f72w445dq0,3-fluorobenzyl radical,meta-fluorotoluene,acmc-209ifn
IUPAC Name 1-fluoro-3-methylbenzene
InChI Key BTQZKHUEUDPRST-UHFFFAOYSA-N
Molecular Formula C7H7F
3

p-Toluenesulfonamide 98.0+%, TCI America™
SDP

CAS: 70-55-3 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.214 MDL Number: MFCD00011692 InChI Key: LMYRWZFENFIFIT-UHFFFAOYSA-N Synonym: p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide PubChem CID: 6269 ChEBI: CHEBI:34435 IUPAC Name: 4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N

PubChem CID 6269
CAS 70-55-3
Molecular Weight (g/mol) 171.214
ChEBI CHEBI:34435
MDL Number MFCD00011692
SMILES CC1=CC=C(C=C1)S(=O)(=O)N
Synonym p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide
IUPAC Name 4-methylbenzenesulfonamide
InChI Key LMYRWZFENFIFIT-UHFFFAOYSA-N
Molecular Formula C7H9NO2S
4

4-Benzyloxy-1,3-butanediol 97.0+%, TCI America™
SDP

CAS: 71998-70-4 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: ZVVBUAFZGGHYAO-UHFFFAOYSA-N PubChem CID: 13181679 IUPAC Name: 4-phenylmethoxybutane-1,3-diol SMILES: C1=CC=C(C=C1)COCC(CCO)O

PubChem CID 13181679
CAS 71998-70-4
Molecular Weight (g/mol) 196.246
SMILES C1=CC=C(C=C1)COCC(CCO)O
IUPAC Name 4-phenylmethoxybutane-1,3-diol
InChI Key ZVVBUAFZGGHYAO-UHFFFAOYSA-N
Molecular Formula C11H16O3
5

2,3,6-Trifluorobenzaldehyde 98.0+%, TCI America™
SDP

CAS: 104451-70-9 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.10 MDL Number: MFCD00061195 InChI Key: XSBAHBVACIKRTG-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497 PubChem CID: 517845 IUPAC Name: 2,3,6-trifluorobenzaldehyde SMILES: FC1=CC=C(F)C(C=O)=C1F

PubChem CID 517845
CAS 104451-70-9
Molecular Weight (g/mol) 160.10
MDL Number MFCD00061195
SMILES FC1=CC=C(F)C(C=O)=C1F
Synonym benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497
IUPAC Name 2,3,6-trifluorobenzaldehyde
InChI Key XSBAHBVACIKRTG-UHFFFAOYSA-N
Molecular Formula C7H3F3O
6

4-Methoxy-2-nitrophenol 98.0+%, TCI America™
SDP

CAS: 1568-70-3 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00024247 InChI Key: YBUGOACXDPDUIR-UHFFFAOYSA-N Synonym: phenol, 4-methoxy-2-nitro,2-nitro-4-methoxyphenol,4-hydroxy-3-nitroanisole,4-methoxy-2-nitro-phenol,zlchem 182,pubchem16829,acmc-1c0rf,ksc494i1t,4-methoxy-2-nitrophenol PubChem CID: 15285 IUPAC Name: 4-methoxy-2-nitrophenol SMILES: COC1=CC(=C(C=C1)O)[N+](=O)[O-]

PubChem CID 15285
CAS 1568-70-3
Molecular Weight (g/mol) 169.136
MDL Number MFCD00024247
SMILES COC1=CC(=C(C=C1)O)[N+](=O)[O-]
Synonym phenol, 4-methoxy-2-nitro,2-nitro-4-methoxyphenol,4-hydroxy-3-nitroanisole,4-methoxy-2-nitro-phenol,zlchem 182,pubchem16829,acmc-1c0rf,ksc494i1t,4-methoxy-2-nitrophenol
IUPAC Name 4-methoxy-2-nitrophenol
InChI Key YBUGOACXDPDUIR-UHFFFAOYSA-N
Molecular Formula C7H7NO4
7

3-Bromo-5-fluorobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 176548-70-2 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD01569540 InChI Key: KLSLJMGWUPAQGZ-UHFFFAOYSA-M Synonym: 5-bromo-3-fluorobenzoic acid,3-fluoro-5-bromobenzoic acid,3-bromo-5-fluorobenzoicacid,5-fluoro-3-bromobenzoic acid,3-bromo-5-fluoro-benzoic acid,3-bromo-5-fluoro benzoic acid,buttpark 24\01-97,benzoic acid, 3-bromo-5-fluoro,pubchem2154,acmc-1c8tm PubChem CID: 2773339 IUPAC Name: 3-bromo-5-fluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=CC(Br)=C1

PubChem CID 2773339
CAS 176548-70-2
Molecular Weight (g/mol) 218.00
MDL Number MFCD01569540
SMILES [O-]C(=O)C1=CC(F)=CC(Br)=C1
Synonym 5-bromo-3-fluorobenzoic acid,3-fluoro-5-bromobenzoic acid,3-bromo-5-fluorobenzoicacid,5-fluoro-3-bromobenzoic acid,3-bromo-5-fluoro-benzoic acid,3-bromo-5-fluoro benzoic acid,buttpark 24\01-97,benzoic acid, 3-bromo-5-fluoro,pubchem2154,acmc-1c8tm
IUPAC Name 3-bromo-5-fluorobenzoate
InChI Key KLSLJMGWUPAQGZ-UHFFFAOYSA-M
Molecular Formula C7H3BrFO2
8

3-Nitrosalicylaldehyde 98.0+%, TCI America™
SDP

CAS: 5274-70-4 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00041874 InChI Key: NUGOTBXFVWXVTE-UHFFFAOYSA-N Synonym: 3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro PubChem CID: 78934 IUPAC Name: 2-hydroxy-3-nitrobenzaldehyde SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O

PubChem CID 78934
CAS 5274-70-4
Molecular Weight (g/mol) 167.12
MDL Number MFCD00041874
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
Synonym 3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro
IUPAC Name 2-hydroxy-3-nitrobenzaldehyde
InChI Key NUGOTBXFVWXVTE-UHFFFAOYSA-N
Molecular Formula C7H5NO4
9

1-Bromo-2,3,5-trifluorobenzene 98.0+%, TCI America™
SDP

CAS: 133739-70-5 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.98 MDL Number: MFCD00012232 InChI Key: XSMLLZPSNLQCQU-UHFFFAOYSA-N PubChem CID: 2736399 IUPAC Name: 1-bromo-2,3,5-trifluorobenzene SMILES: FC1=CC(F)=C(F)C(Br)=C1

PubChem CID 2736399
CAS 133739-70-5
Molecular Weight (g/mol) 210.98
MDL Number MFCD00012232
SMILES FC1=CC(F)=C(F)C(Br)=C1
IUPAC Name 1-bromo-2,3,5-trifluorobenzene
InChI Key XSMLLZPSNLQCQU-UHFFFAOYSA-N
Molecular Formula C6H2BrF3
10

Disodium Terephthalate 99.0+%, TCI America™
SDP

CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

PubChem CID 82305
CAS 10028-70-3
Molecular Weight (g/mol) 210.096
MDL Number MFCD00013137
SMILES C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
IUPAC Name disodium;terephthalate
InChI Key VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Formula C8H4Na2O4
11

Bis(4-iodophenyl)amine 98.0+%, TCI America™
SDP

CAS: 20255-70-3 Molecular Formula: C12H9I2N Molecular Weight (g/mol): 421.02 InChI Key: SJLIWXXAQHNDHM-UHFFFAOYSA-N PubChem CID: 12950430 IUPAC Name: 4-iodo-N-(4-iodophenyl)aniline SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)I)I

PubChem CID 12950430
CAS 20255-70-3
Molecular Weight (g/mol) 421.02
SMILES C1=CC(=CC=C1NC2=CC=C(C=C2)I)I
IUPAC Name 4-iodo-N-(4-iodophenyl)aniline
InChI Key SJLIWXXAQHNDHM-UHFFFAOYSA-N
Molecular Formula C12H9I2N
12

2,3,4,6-Tetrafluorobenzyl Alcohol 98.0+%, TCI America™
SDP

CAS: 53001-70-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD03701105 InChI Key: BXLQTYVTBJQPPZ-UHFFFAOYSA-N PubChem CID: 17750859 IUPAC Name: (2,3,4,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C=C(F)C(F)=C1F

PubChem CID 17750859
CAS 53001-70-0
Molecular Weight (g/mol) 180.10
MDL Number MFCD03701105
SMILES OCC1=C(F)C=C(F)C(F)=C1F
IUPAC Name (2,3,4,6-tetrafluorophenyl)methanol
InChI Key BXLQTYVTBJQPPZ-UHFFFAOYSA-N
Molecular Formula C7H4F4O
13

3-Hydroxy-2-naphthoic Acid 98.0+%, TCI America™
SDP

CAS: 92-70-6 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00004103 InChI Key: ALKYHXVLJMQRLQ-UHFFFAOYSA-N Synonym: 3-hydroxy-2-naphthoic acid,2-hydroxy-3-naphthoic acid,bon acid,bona,developer bon,2-naphthol-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy,b.o.n. acid,c.i. developer 20,miketazol developer ons PubChem CID: 7104 ChEBI: CHEBI:80383 IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O

PubChem CID 7104
CAS 92-70-6
Molecular Weight (g/mol) 188.182
ChEBI CHEBI:80383
MDL Number MFCD00004103
SMILES C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
Synonym 3-hydroxy-2-naphthoic acid,2-hydroxy-3-naphthoic acid,bon acid,bona,developer bon,2-naphthol-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy,b.o.n. acid,c.i. developer 20,miketazol developer ons
IUPAC Name 3-hydroxynaphthalene-2-carboxylic acid
InChI Key ALKYHXVLJMQRLQ-UHFFFAOYSA-N
Molecular Formula C11H8O3
14

4-Fluoro-m-cresol 97.0+%, TCI America™
SDP

CAS: 452-70-0 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00042296 InChI Key: RVYGYYVGWSCWGY-UHFFFAOYSA-N Synonym: 4-fluoro-m-cresol,3-methyl-4-fluorophenol,2-fluoro-5-hydroxytoluene,4-fluoro-3-methyl-phenol,phenol, 4-fluoro-3-methyl,4-fluoro-3-methylphenol,pubchem1501,3-methyl-4-fluoro phenol,4-fluoro-3-methyl phenol,acmc-209k1i PubChem CID: 2737394 IUPAC Name: 4-fluoro-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)F

PubChem CID 2737394
CAS 452-70-0
Molecular Weight (g/mol) 126.13
MDL Number MFCD00042296
SMILES CC1=C(C=CC(=C1)O)F
Synonym 4-fluoro-m-cresol,3-methyl-4-fluorophenol,2-fluoro-5-hydroxytoluene,4-fluoro-3-methyl-phenol,phenol, 4-fluoro-3-methyl,4-fluoro-3-methylphenol,pubchem1501,3-methyl-4-fluoro phenol,4-fluoro-3-methyl phenol,acmc-209k1i
IUPAC Name 4-fluoro-3-methylphenol
InChI Key RVYGYYVGWSCWGY-UHFFFAOYSA-N
Molecular Formula C7H7FO
15

4-Amino-3-methylbenzoic Acid 98.0+%, TCI America™
SDP

CAS: 2486-70-6 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: NHFKECPTBZZFBC-UHFFFAOYSA-N Synonym: 3-methyl-4-aminobenzoic acid,4-amino-m-toluic acid,benzoic acid, 4-amino-3-methyl,4-amino-3-methyl benzoic acid,4-amino-3-methyl benzoate,4-amino-3-methylbenzoicacid,unii-201cxt4h5v,4-amino-3-methyl-benzoic acid,benzoic acid, 3-methyl-4-amino,4-amino-3-methylbenzenecarboxylic acid PubChem CID: 75598 IUPAC Name: 4-amino-3-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)C(=O)O)N

PubChem CID 75598
CAS 2486-70-6
Molecular Weight (g/mol) 151.165
SMILES CC1=C(C=CC(=C1)C(=O)O)N
Synonym 3-methyl-4-aminobenzoic acid,4-amino-m-toluic acid,benzoic acid, 4-amino-3-methyl,4-amino-3-methyl benzoic acid,4-amino-3-methyl benzoate,4-amino-3-methylbenzoicacid,unii-201cxt4h5v,4-amino-3-methyl-benzoic acid,benzoic acid, 3-methyl-4-amino,4-amino-3-methylbenzenecarboxylic acid
IUPAC Name 4-amino-3-methylbenzoic acid
InChI Key NHFKECPTBZZFBC-UHFFFAOYSA-N
Molecular Formula C8H9NO2