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.

361 – 375 of 55,094 results

361

3-Chlorophenylacetone, 94%

CAS: 14123-60-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00082872 InChI Key: VCNYPJMEQHTAHS-UHFFFAOYSA-N PubChem CID: 2734097 IUPAC Name: 1-(3-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC(Cl)=C1

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Specifications

PubChem CID	2734097
CAS	14123-60-5
Molecular Weight (g/mol)	168.62
MDL Number	MFCD00082872
SMILES	CC(=O)CC1=CC=CC(Cl)=C1
IUPAC Name	1-(3-chlorophenyl)propan-2-one
InChI Key	VCNYPJMEQHTAHS-UHFFFAOYSA-N
Molecular Formula	C9H9ClO

362

3,5-Bis(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals

CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	156265
CAS	73852-19-4
Molecular Weight (g/mol)	257.93
MDL Number	MFCD00051850
SMILES	OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]boronic acid
InChI Key	BPTABBGLHGBJQR-UHFFFAOYSA-N
Molecular Formula	C8H5BF6O2

363

4-Vinylaniline, 90%, technical, stabilized

CAS: 1520-21-4 Molecular Formula: C₈H₉N Molecular Weight (g/mol): 119.17 MDL Number: MFCD00015329 InChI Key: LBSXSAXOLABXMF-UHFFFAOYSA-N Synonym: 4-vinylaniline,4-aminostyrene,p-aminostyrene,benzenamine, 4-ethenyl,4-aminostryene,ccris 4326,benzenamine,4-ethenyl,p-vinylaniline,p-amino styrene,para-aminostyrene PubChem CID: 73700 IUPAC Name: 4-ethenylaniline SMILES: C=CC1=CC=C(C=C1)N

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Specifications

PubChem CID	73700
CAS	1520-21-4
Molecular Weight (g/mol)	119.17
MDL Number	MFCD00015329
SMILES	C=CC1=CC=C(C=C1)N
Synonym	4-vinylaniline,4-aminostyrene,p-aminostyrene,benzenamine, 4-ethenyl,4-aminostryene,ccris 4326,benzenamine,4-ethenyl,p-vinylaniline,p-amino styrene,para-aminostyrene
IUPAC Name	4-ethenylaniline
InChI Key	LBSXSAXOLABXMF-UHFFFAOYSA-N
Molecular Formula	C₈H₉N

364

Allylpentafluorobenzene, 97%, Thermo Scientific™

CAS: 1736-60-3 Molecular Formula: C9H5F5 Molecular Weight (g/mol): 208.13 MDL Number: MFCD00000301 InChI Key: YBDBTBVNQQBHGJ-UHFFFAOYSA-N Synonym: allylpentafluorobenzene,benzene, allylpentafluoro,3-pentafluorophenyl-1-propene,2,3,4,5,6-pentafluoro allylbenzene,benzene, pentafluoro-2-propenyl,1,2,3,4,5-pentafluoro-6-prop-2-en-1-yl benzene,allyl pentafluorobenzene,pubchem13366,acmc-1bth5 PubChem CID: 74435 IUPAC Name: 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene SMILES: FC1=C(F)C(F)=C(CC=C)C(F)=C1F

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Specifications

PubChem CID	74435
CAS	1736-60-3
Molecular Weight (g/mol)	208.13
MDL Number	MFCD00000301
SMILES	FC1=C(F)C(F)=C(CC=C)C(F)=C1F
Synonym	allylpentafluorobenzene,benzene, allylpentafluoro,3-pentafluorophenyl-1-propene,2,3,4,5,6-pentafluoro allylbenzene,benzene, pentafluoro-2-propenyl,1,2,3,4,5-pentafluoro-6-prop-2-en-1-yl benzene,allyl pentafluorobenzene,pubchem13366,acmc-1bth5
IUPAC Name	1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene
InChI Key	YBDBTBVNQQBHGJ-UHFFFAOYSA-N
Molecular Formula	C9H5F5

365

(1S,2R)-(-)-cis-1-Amino-2-indanol, 99%

CAS: 126456-43-7 Molecular Formula: C9H12NO Molecular Weight (g/mol): 150.20 MDL Number: MFCD00216655 InChI Key: LOPKSXMQWBYUOI-BDAKNGLRSA-O PubChem CID: 9866743 SMILES: [NH3+][C@@H]1[C@H](O)CC2=CC=CC=C12

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Specifications

PubChem CID	9866743
CAS	126456-43-7
Molecular Weight (g/mol)	150.20
MDL Number	MFCD00216655
SMILES	[NH3+][C@@H]1[C@H](O)CC2=CC=CC=C12
InChI Key	LOPKSXMQWBYUOI-BDAKNGLRSA-O
Molecular Formula	C9H12NO

366

N-Methyl-N-propargylbenzylamine, 97%

CAS: 555-57-7 Molecular Formula: C₁₁H₁₃N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00008576 InChI Key: DPWPWRLQFGFJFI-UHFFFAOYSA-N Synonym: pargyline,pargylamine,n-methyl-n-propargylbenzylamine,paragyline,eudatin,supirdyl,eutonyl,pargylin,n-methyl-n-2-propynylbenzylamine,benzyl-methyl-2-propinylamin PubChem CID: 4688 ChEBI: CHEBI:7930 IUPAC Name: N-benzyl-N-methylprop-2-yn-1-amine SMILES: CN(CC#C)CC1=CC=CC=C1

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Specifications

PubChem CID	4688
CAS	555-57-7
Molecular Weight (g/mol)	159.23
ChEBI	CHEBI:7930
MDL Number	MFCD00008576
SMILES	CN(CC#C)CC1=CC=CC=C1
Synonym	pargyline,pargylamine,n-methyl-n-propargylbenzylamine,paragyline,eudatin,supirdyl,eutonyl,pargylin,n-methyl-n-2-propynylbenzylamine,benzyl-methyl-2-propinylamin
IUPAC Name	N-benzyl-N-methylprop-2-yn-1-amine
InChI Key	DPWPWRLQFGFJFI-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₃N

367

2-Nitrobenzyl alcohol, 97%

CAS: 612-25-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007186 InChI Key: BWRBVBFLFQKBPT-UHFFFAOYSA-N Synonym: 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol PubChem CID: 11923 IUPAC Name: (2-nitrophenyl)methanol SMILES: OCC1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	11923
CAS	612-25-9
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00007186
SMILES	OCC1=CC=CC=C1[N+]([O-])=O
Synonym	2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol
IUPAC Name	(2-nitrophenyl)methanol
InChI Key	BWRBVBFLFQKBPT-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

368

4-Nitrobenzyl alcohol, 99%

CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	69275
CAS	619-73-8
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:41214
MDL Number	MFCD00007376
SMILES	OCC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m
IUPAC Name	(4-nitrophenyl)methanol
InChI Key	JKTYGPATCNUWKN-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

369

Salicylhydrazide, 98+%

CAS: 936-02-7 Molecular Formula: C₇H₈N₂O₂ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007599 InChI Key: XSXYESVZDBAKKT-UHFFFAOYSA-N Synonym: salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide PubChem CID: 13637 IUPAC Name: 2-hydroxybenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)O

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Specifications

PubChem CID	13637
CAS	936-02-7
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00007599
SMILES	C1=CC=C(C(=C1)C(=O)NN)O
Synonym	salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide
IUPAC Name	2-hydroxybenzohydrazide
InChI Key	XSXYESVZDBAKKT-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O₂

370

4-Iodotoluene, 98%

CAS: 624-31-7 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001059 InChI Key: UDHAWRUAECEBHC-UHFFFAOYSA-N Synonym: 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4- PubChem CID: 12207 IUPAC Name: 1-iodo-4-methylbenzene SMILES: CC1=CC=C(C=C1)I

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Specifications

PubChem CID	12207
CAS	624-31-7
Molecular Weight (g/mol)	218.037
MDL Number	MFCD00001059
SMILES	CC1=CC=C(C=C1)I
Synonym	4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4-
IUPAC Name	1-iodo-4-methylbenzene
InChI Key	UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula	C7H7I

371

Thermo Scientific Chemicals p-Terphenyl, 99+%, pure

CAS: 92-94-4 Molecular Formula: C₁₈H₁₄ Molecular Weight (g/mol): 230.31 MDL Number: MFCD00003061 InChI Key: XJKSTNDFUHDPQJ-UHFFFAOYSA-N Synonym: p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin PubChem CID: 7115 ChEBI: CHEBI:52242 IUPAC Name: 1,4-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

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Specifications

PubChem CID	7115
CAS	92-94-4
Molecular Weight (g/mol)	230.31
ChEBI	CHEBI:52242
MDL Number	MFCD00003061
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
Synonym	p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin
IUPAC Name	1,4-diphenylbenzene
InChI Key	XJKSTNDFUHDPQJ-UHFFFAOYSA-N
Molecular Formula	C₁₈H₁₄

372

alpha-Tetralone, 98%

CAS: 529-34-0 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00001688 InChI Key: XHLHPRDBBAGVEG-UHFFFAOYSA-N Synonym: alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone PubChem CID: 10724 IUPAC Name: 3,4-dihydro-2H-naphthalen-1-one SMILES: O=C1CCCC2=CC=CC=C12

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Specifications

PubChem CID	10724
CAS	529-34-0
Molecular Weight (g/mol)	146.19
MDL Number	MFCD00001688
SMILES	O=C1CCCC2=CC=CC=C12
Synonym	alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone
IUPAC Name	3,4-dihydro-2H-naphthalen-1-one
InChI Key	XHLHPRDBBAGVEG-UHFFFAOYSA-N
Molecular Formula	C10H10O

373

3,5-Diaminobenzoic acid, 98%

CAS: 535-87-5 Molecular Formula: C₇H₈N₂O₂ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

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Specifications

PubChem CID	12062
CAS	535-87-5
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00007807
SMILES	C1=C(C=C(C=C1N)N)C(=O)O
Synonym	benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid
IUPAC Name	3,5-diaminobenzoic acid
InChI Key	UENRXLSRMCSUSN-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O₂

374

alpha,alpha'-Dibromo-o-xylene, 96%

CAS: 91-13-4 Molecular Formula: C₈H₈Br₂ Molecular Weight (g/mol): 263.95 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

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Specifications

PubChem CID	66665
CAS	91-13-4
Molecular Weight (g/mol)	263.95
MDL Number	MFCD00000175
SMILES	C1=CC=C(C(=C1)CBr)CBr
Synonym	1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name	1,2-bis(bromomethyl)benzene
InChI Key	KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula	C₈H₈Br₂

375

3,4-Dichlorobenzylamine, 98%

CAS: 102-49-8 Molecular Formula: C₇H₇Cl₂N Molecular Weight (g/mol): 176.05 MDL Number: MFCD00008114 InChI Key: IXHNFOOSLAWRBQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine PubChem CID: 1608 IUPAC Name: (3,4-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)Cl)Cl

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Specifications

PubChem CID	1608
CAS	102-49-8
Molecular Weight (g/mol)	176.05
MDL Number	MFCD00008114
SMILES	C1=CC(=C(C=C1CN)Cl)Cl
Synonym	3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine
IUPAC Name	(3,4-dichlorophenyl)methanamine
InChI Key	IXHNFOOSLAWRBQ-UHFFFAOYSA-N
Molecular Formula	C₇H₇Cl₂N

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