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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7,546 – 7,560 of 77,726 results

7,546

4-(1,1,3,3-Tetramethylbutyl)phenol 95.0+%, TCI America™

CAS: 140-66-9 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00002368 InChI Key: ISAVYTVYFVQUDY-UHFFFAOYSA-N Synonym: 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl PubChem CID: 8814 ChEBI: CHEBI:34445 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	8814
CAS	140-66-9
Molecular Weight (g/mol)	206.329
ChEBI	CHEBI:34445
MDL Number	MFCD00002368
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
Synonym	4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl
IUPAC Name	4-(2,4,4-trimethylpentan-2-yl)phenol
InChI Key	ISAVYTVYFVQUDY-UHFFFAOYSA-N
Molecular Formula	C14H22O

7,547

2-Chloro-1,3-difluorobenzene 98.0+%, TCI America™

CAS: 38361-37-4 Molecular Formula: C6H3ClF2 Molecular Weight (g/mol): 148.537 MDL Number: MFCD00142604 InChI Key: OTZQYBFTOANOJO-UHFFFAOYSA-N PubChem CID: 142257 IUPAC Name: 2-chloro-1,3-difluorobenzene SMILES: C1=CC(=C(C(=C1)F)Cl)F

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Specifications

PubChem CID	142257
CAS	38361-37-4
Molecular Weight (g/mol)	148.537
MDL Number	MFCD00142604
SMILES	C1=CC(=C(C(=C1)F)Cl)F
IUPAC Name	2-chloro-1,3-difluorobenzene
InChI Key	OTZQYBFTOANOJO-UHFFFAOYSA-N
Molecular Formula	C6H3ClF2

7,548

p-Toluidine-2-sulfonic Acid 98.0+%, TCI America™

CAS: 88-44-8 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00007908 InChI Key: LTPSRQRIPCVMKQ-UHFFFAOYSA-N Synonym: 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino PubChem CID: 6934 IUPAC Name: 2-amino-5-methylbenzene-1-sulfonic acid SMILES: CC1=CC=C(N)C(=C1)S(O)(=O)=O

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Specifications

PubChem CID	6934
CAS	88-44-8
Molecular Weight (g/mol)	187.21
MDL Number	MFCD00007908
SMILES	CC1=CC=C(N)C(=C1)S(O)(=O)=O
Synonym	4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino
IUPAC Name	2-amino-5-methylbenzene-1-sulfonic acid
InChI Key	LTPSRQRIPCVMKQ-UHFFFAOYSA-N
Molecular Formula	C7H9NO3S

7,549

4-(Methylthio)benzyl Alcohol 98.0+%, TCI America™

CAS: 3446-90-0 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.227 MDL Number: MFCD00009706 InChI Key: MTXQKSQYMREAGJ-UHFFFAOYSA-N Synonym: 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole PubChem CID: 592968 IUPAC Name: (4-methylsulfanylphenyl)methanol SMILES: CSC1=CC=C(C=C1)CO

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Specifications

PubChem CID	592968
CAS	3446-90-0
Molecular Weight (g/mol)	154.227
MDL Number	MFCD00009706
SMILES	CSC1=CC=C(C=C1)CO
Synonym	4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole
IUPAC Name	(4-methylsulfanylphenyl)methanol
InChI Key	MTXQKSQYMREAGJ-UHFFFAOYSA-N
Molecular Formula	C8H10OS

7,550

Tolylene-2,6-diisocyanate 98.0+%, TCI America™

CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O

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Specifications

PubChem CID	7040
CAS	91-08-7
Molecular Weight (g/mol)	174.159
ChEBI	CHEBI:53557
MDL Number	MFCD00002010
SMILES	CC1=C(C=CC=C1N=C=O)N=C=O
Synonym	2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene
IUPAC Name	1,3-diisocyanato-2-methylbenzene
InChI Key	RUELTTOHQODFPA-UHFFFAOYSA-N
Molecular Formula	C9H6N2O2

7,551

2,4-Difluorobenzonitrile 98.0+%, TCI America™

CAS: 3939-09-1 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00009826 InChI Key: LJFDXXUKKMEQKE-UHFFFAOYSA-N Synonym: 2,4-difluorobenzenecarbonitrile,benzonitrile, 2,4-difluoro,2,4-difluoro-benzonitrile,pubchem1563,acmc-1bohp,2.4-difluoro benzonitrile,2,4-difluoro benzonitrile,ksc493m5d,2,4-difluorobenzonitrile,ljfdxxukkmeqke-uhfffaoysa PubChem CID: 77545 IUPAC Name: 2,4-difluorobenzonitrile SMILES: C1=CC(=C(C=C1F)F)C#N

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Specifications

PubChem CID	77545
CAS	3939-09-1
Molecular Weight (g/mol)	139.11
MDL Number	MFCD00009826
SMILES	C1=CC(=C(C=C1F)F)C#N
Synonym	2,4-difluorobenzenecarbonitrile,benzonitrile, 2,4-difluoro,2,4-difluoro-benzonitrile,pubchem1563,acmc-1bohp,2.4-difluoro benzonitrile,2,4-difluoro benzonitrile,ksc493m5d,2,4-difluorobenzonitrile,ljfdxxukkmeqke-uhfffaoysa
IUPAC Name	2,4-difluorobenzonitrile
InChI Key	LJFDXXUKKMEQKE-UHFFFAOYSA-N
Molecular Formula	C7H3F2N

7,552

4,4'-Diiodo-2,2'-dimethylbiphenyl 98.0+%, TCI America™

CAS: 69571-02-4 Molecular Formula: C14H12I2 Molecular Weight (g/mol): 434.06 MDL Number: MFCD13185944 InChI Key: WHFMNDMHTIOIMS-UHFFFAOYSA-N PubChem CID: 13797298 IUPAC Name: 4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl SMILES: CC1=C(C=CC(I)=C1)C1=C(C)C=C(I)C=C1

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Specifications

PubChem CID	13797298
CAS	69571-02-4
Molecular Weight (g/mol)	434.06
MDL Number	MFCD13185944
SMILES	CC1=C(C=CC(I)=C1)C1=C(C)C=C(I)C=C1
IUPAC Name	4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl
InChI Key	WHFMNDMHTIOIMS-UHFFFAOYSA-N
Molecular Formula	C14H12I2

7,553

Guaiacol Glycerol Ether 98.0+%, TCI America™

CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N Synonym: guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol PubChem CID: 3516 IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO

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Specifications

PubChem CID	3516
CAS	93-14-1
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00016873
SMILES	COC1=CC=CC=C1OCC(O)CO
Synonym	guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol
IUPAC Name	3-(2-methoxyphenoxy)propane-1,2-diol
InChI Key	HSRJKNPTNIJEKV-UHFFFAOYNA-N
Molecular Formula	C10H14O4

7,554

(4-Methoxybenzyl) Methyl Ether 98.0+%, TCI America™

CAS: 1515-81-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00155135 InChI Key: RSOYRXBYZFBWFS-UHFFFAOYSA-N Synonym: 4-(Methoxymethyl)anisole PubChem CID: 73689 IUPAC Name: 1-methoxy-4-(methoxymethyl)benzene SMILES: COCC1=CC=C(OC)C=C1

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Specifications

PubChem CID	73689
CAS	1515-81-7
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00155135
SMILES	COCC1=CC=C(OC)C=C1
Synonym	4-(Methoxymethyl)anisole
IUPAC Name	1-methoxy-4-(methoxymethyl)benzene
InChI Key	RSOYRXBYZFBWFS-UHFFFAOYSA-N
Molecular Formula	C9H12O2

7,555

4-Chloro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O

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Specifications

PubChem CID	80475
CAS	6280-88-2
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007214
SMILES	OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion
IUPAC Name	4-chloro-2-nitrobenzoic acid
InChI Key	JAHIPDTWWVYVRV-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

7,556

p-Tolyldiethanolamine 98.0+%, TCI America™

CAS: 3077-12-1 Molecular Formula: C11H17NO2 Molecular Weight (g/mol): 195.26 MDL Number: MFCD00020580 InChI Key: JUVSRZCUMWZBFK-UHFFFAOYSA-N PubChem CID: 76497 IUPAC Name: 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol SMILES: CC1=CC=C(C=C1)N(CCO)CCO

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Specifications

PubChem CID	76497
CAS	3077-12-1
Molecular Weight (g/mol)	195.26
MDL Number	MFCD00020580
SMILES	CC1=CC=C(C=C1)N(CCO)CCO
IUPAC Name	2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
InChI Key	JUVSRZCUMWZBFK-UHFFFAOYSA-N
Molecular Formula	C11H17NO2

7,557

Phenoxybenzamine Hydrochloride 98.0+%, TCI America™

CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl

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Specifications

PubChem CID	5284441
CAS	63-92-3
Molecular Weight (g/mol)	340.288
ChEBI	CHEBI:8078
MDL Number	MFCD00055152
SMILES	CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
Synonym	phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine
IUPAC Name	N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride
InChI Key	VBCPVIWPDJVHAN-UHFFFAOYSA-N
Molecular Formula	C18H23Cl2NO

7,558

1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene 98.0+%, TCI America™

CAS: 405074-81-9 Molecular Formula: C9HF11O4S2 Molecular Weight (g/mol): 446.205 MDL Number: MFCD04117910 InChI Key: RLLDXJXYMKTGPV-UHFFFAOYSA-N Synonym: alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene, 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane PubChem CID: 10203986 IUPAC Name: 1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	10203986
CAS	405074-81-9
Molecular Weight (g/mol)	446.205
MDL Number	MFCD04117910
SMILES	C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Synonym	alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene, 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane
IUPAC Name	1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
InChI Key	RLLDXJXYMKTGPV-UHFFFAOYSA-N
Molecular Formula	C9HF11O4S2

7,559

4-Cyano-4'-ethoxybiphenyl 98.0+%, TCI America™

CAS: 58743-78-5 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD01218033 InChI Key: VETJRGXWDLHERN-UHFFFAOYSA-N Synonym: 4'-ethoxy-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-ethoxybiphenyl,4-ethoxy-4'-cyanobiphenyl,4-4-ethoxyphenyl benzonitrile,4-ethoxy-1,1'-biphenyl-4'-carbonitrile,1,1'-biphenyl-4-carbonitrile, 4'-ethoxy,4'-ethoxy-4-cyanobiphenyl,4-4-ethoxyphenyl benzenecarbonitrile,pubchem2524 PubChem CID: 93893 IUPAC Name: 4-(4-ethoxyphenyl)benzonitrile SMILES: CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

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Specifications

PubChem CID	93893
CAS	58743-78-5
Molecular Weight (g/mol)	223.275
MDL Number	MFCD01218033
SMILES	CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Synonym	4'-ethoxy-1,1'-biphenyl-4-carbonitrile,4-cyano-4'-ethoxybiphenyl,4-ethoxy-4'-cyanobiphenyl,4-4-ethoxyphenyl benzonitrile,4-ethoxy-1,1'-biphenyl-4'-carbonitrile,1,1'-biphenyl-4-carbonitrile, 4'-ethoxy,4'-ethoxy-4-cyanobiphenyl,4-4-ethoxyphenyl benzenecarbonitrile,pubchem2524
IUPAC Name	4-(4-ethoxyphenyl)benzonitrile
InChI Key	VETJRGXWDLHERN-UHFFFAOYSA-N
Molecular Formula	C15H13NO

7,560

3-Bromo-2,4,6-trimethylaniline 98.0+%, TCI America™

CAS: 82842-52-2 Molecular Formula: C9H12BrN Molecular Weight (g/mol): 214.106 MDL Number: MFCD00015476 InChI Key: MVLMPTBHZPYDBZ-UHFFFAOYSA-N Synonym: benzenamine, 3-bromo-2,4,6-trimethyl,pubchem4363,ksc496e8h,2,4,6-trimethyl-3-bromoaniline,3-bromo-2,4,6-trimethyl-aniline,3-bromo-2,4,6-trimethylbenzenamine,3-bromo-2,4,6-trimethylphenylamine,3-bromo-2,4,6-trimethyl-phenylamine,3-bromo-2,4,6-trimethylaniline,3-bromo-2,4,6-trimethylaniline, 98+% PubChem CID: 688300 IUPAC Name: 3-bromo-2,4,6-trimethylaniline SMILES: CC1=CC(=C(C(=C1N)C)Br)C

Pricing & Availability
Specifications

PubChem CID	688300
CAS	82842-52-2
Molecular Weight (g/mol)	214.106
MDL Number	MFCD00015476
SMILES	CC1=CC(=C(C(=C1N)C)Br)C
Synonym	benzenamine, 3-bromo-2,4,6-trimethyl,pubchem4363,ksc496e8h,2,4,6-trimethyl-3-bromoaniline,3-bromo-2,4,6-trimethyl-aniline,3-bromo-2,4,6-trimethylbenzenamine,3-bromo-2,4,6-trimethylphenylamine,3-bromo-2,4,6-trimethyl-phenylamine,3-bromo-2,4,6-trimethylaniline,3-bromo-2,4,6-trimethylaniline, 98+%
IUPAC Name	3-bromo-2,4,6-trimethylaniline
InChI Key	MVLMPTBHZPYDBZ-UHFFFAOYSA-N
Molecular Formula	C9H12BrN

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