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.

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8,536 – 8,550 of 77,879 results

8,536

4-Acetoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 177490-82-3 Molecular Formula: C8H9BO4 Molecular Weight (g/mol): 179.97 MDL Number: MFCD09027198 InChI Key: VILXJXDXZGKJLU-UHFFFAOYSA-N Synonym: 4-acetoxyphenyl boronic acid,4-acetoxyphenylboronic acid,4-acetoxybenzeneboronic acid,4-acetyloxy phenylboronic acid,boronic acid, 4-acetyloxy phenyl,boronic acid,b-4-acetyloxy phenyl,4-boronophenyl acetate,pubchem20170,acmc-209ecy,4-acetoxyphenyl boronicacid PubChem CID: 44119577 IUPAC Name: [4-(acetyloxy)phenyl]boronic acid SMILES: CC(=O)OC1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	44119577
CAS	177490-82-3
Molecular Weight (g/mol)	179.97
MDL Number	MFCD09027198
SMILES	CC(=O)OC1=CC=C(C=C1)B(O)O
Synonym	4-acetoxyphenyl boronic acid,4-acetoxyphenylboronic acid,4-acetoxybenzeneboronic acid,4-acetyloxy phenylboronic acid,boronic acid, 4-acetyloxy phenyl,boronic acid,b-4-acetyloxy phenyl,4-boronophenyl acetate,pubchem20170,acmc-209ecy,4-acetoxyphenyl boronicacid
IUPAC Name	[4-(acetyloxy)phenyl]boronic acid
InChI Key	VILXJXDXZGKJLU-UHFFFAOYSA-N
Molecular Formula	C8H9BO4

8,537

3,4-Diacetoxybenzaldehyde 98.0+%, TCI America™

CAS: 67727-64-4 Molecular Formula: C11H10O5 Molecular Weight (g/mol): 222.20 MDL Number: MFCD00143057 InChI Key: WYHMNJKAVNPOOR-UHFFFAOYSA-N PubChem CID: 1517488 IUPAC Name: 2-(acetyloxy)-5-formylphenyl acetate SMILES: CC(=O)OC1=C(OC(C)=O)C=C(C=O)C=C1

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Specifications

PubChem CID	1517488
CAS	67727-64-4
Molecular Weight (g/mol)	222.20
MDL Number	MFCD00143057
SMILES	CC(=O)OC1=C(OC(C)=O)C=C(C=O)C=C1
IUPAC Name	2-(acetyloxy)-5-formylphenyl acetate
InChI Key	WYHMNJKAVNPOOR-UHFFFAOYSA-N
Molecular Formula	C11H10O5

8,538

1,2,4-Triacetoxybenzene 95.0+%, TCI America™

CAS: 613-03-6 Molecular Formula: C12H12O6 Molecular Weight (g/mol): 252.222 MDL Number: MFCD00008700 InChI Key: AESFGSJWSUZRGW-UHFFFAOYSA-N Synonym: 1,2,4-triacetoxybenzene,benzene-1,2,4-triyl triacetate,hydroxyhydroquinone triacetate,1,2,4-benzenetriol, triacetate,pyrogallol a,2-hydroxyhydroquinone triacetate,1,2,4-benzenetriacetate,unii-903t7h7cp1,triacetate d'hydroxyhydroquinone,2,4-bis acetyloxy phenyl acetate PubChem CID: 69169 IUPAC Name: (3,4-diacetyloxyphenyl) acetate SMILES: CC(=O)OC1=CC(=C(C=C1)OC(=O)C)OC(=O)C

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Specifications

PubChem CID	69169
CAS	613-03-6
Molecular Weight (g/mol)	252.222
MDL Number	MFCD00008700
SMILES	CC(=O)OC1=CC(=C(C=C1)OC(=O)C)OC(=O)C
Synonym	1,2,4-triacetoxybenzene,benzene-1,2,4-triyl triacetate,hydroxyhydroquinone triacetate,1,2,4-benzenetriol, triacetate,pyrogallol a,2-hydroxyhydroquinone triacetate,1,2,4-benzenetriacetate,unii-903t7h7cp1,triacetate d'hydroxyhydroquinone,2,4-bis acetyloxy phenyl acetate
IUPAC Name	(3,4-diacetyloxyphenyl) acetate
InChI Key	AESFGSJWSUZRGW-UHFFFAOYSA-N
Molecular Formula	C12H12O6

8,539

Eugenol Acetate 98.0+%, TCI America™

CAS: 93-28-7 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00026191 InChI Key: SCCDQYPEOIRVGX-UHFFFAOYSA-N Synonym: eugenyl acetate,acetyleugenol,eugenol acetate,aceteugenol,4-allyl-2-methoxyphenyl acetate,acetyl eugenol,1,3,4-eugenol acetate,4-allyl-2-methoxyphenol acetate,aceto eugenol,1-acetoxy-2-methoxy-4-allylbenzene PubChem CID: 7136 ChEBI: CHEBI:34522 IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenyl acetate SMILES: COC1=CC(CC=C)=CC=C1OC(C)=O

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Specifications

PubChem CID	7136
CAS	93-28-7
Molecular Weight (g/mol)	206.24
ChEBI	CHEBI:34522
MDL Number	MFCD00026191
SMILES	COC1=CC(CC=C)=CC=C1OC(C)=O
Synonym	eugenyl acetate,acetyleugenol,eugenol acetate,aceteugenol,4-allyl-2-methoxyphenyl acetate,acetyl eugenol,1,3,4-eugenol acetate,4-allyl-2-methoxyphenol acetate,aceto eugenol,1-acetoxy-2-methoxy-4-allylbenzene
IUPAC Name	2-methoxy-4-(prop-2-en-1-yl)phenyl acetate
InChI Key	SCCDQYPEOIRVGX-UHFFFAOYSA-N
Molecular Formula	C12H14O3

8,540

o-Tolyl Acetate 98.0+%, TCI America™

CAS: 533-18-6 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00053704 InChI Key: AMZORBZSQRUXNC-UHFFFAOYSA-N Synonym: Acetic Acid o-Cresyl Ester, Acetic Acid o-Tolyl Ester, o-Cresyl Acetate PubChem CID: 10778 IUPAC Name: 2-methylphenyl acetate SMILES: CC(=O)OC1=CC=CC=C1C

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Specifications

PubChem CID	10778
CAS	533-18-6
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00053704
SMILES	CC(=O)OC1=CC=CC=C1C
Synonym	Acetic Acid o-Cresyl Ester, Acetic Acid o-Tolyl Ester, o-Cresyl Acetate
IUPAC Name	2-methylphenyl acetate
InChI Key	AMZORBZSQRUXNC-UHFFFAOYSA-N
Molecular Formula	C9H10O2

8,541

1-Acetoxy-2-methoxy-4-[(E)-1-propenyl]benzene 98.0+%, TCI America™

CAS: 93-29-8 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00026984 InChI Key: IUSBVFZKQJGVEP-SNAWJCMRSA-N Synonym: Acetylisoeugenol PubChem CID: 876160 ChEBI: CHEBI:86583 IUPAC Name: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate SMILES: COC1=CC(\C=C\C)=CC=C1OC(C)=O

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Specifications

PubChem CID	876160
CAS	93-29-8
Molecular Weight (g/mol)	206.24
ChEBI	CHEBI:86583
MDL Number	MFCD00026984
SMILES	COC1=CC(\C=C\C)=CC=C1OC(C)=O
Synonym	Acetylisoeugenol
IUPAC Name	2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate
InChI Key	IUSBVFZKQJGVEP-SNAWJCMRSA-N
Molecular Formula	C12H14O3

8,542

Phenyl Bromoacetate 95.0+%, TCI America™

CAS: 620-72-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00192391 InChI Key: UEWYUCGVQMZMGY-UHFFFAOYSA-N Synonym: phenyl bromoacetate,acetic acid, bromo-, phenyl ester,bromoacetic acid phenyl ester,bromoacetic acid, phenyl ester,phenylbromessigester,phenyl bromoacetate #,acmc-209mzb,phenyl 2-bromanylethanoate,ksc352o8b PubChem CID: 564919 IUPAC Name: phenyl 2-bromoacetate SMILES: C1=CC=C(C=C1)OC(=O)CBr

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Specifications

PubChem CID	564919
CAS	620-72-4
Molecular Weight (g/mol)	215.046
MDL Number	MFCD00192391
SMILES	C1=CC=C(C=C1)OC(=O)CBr
Synonym	phenyl bromoacetate,acetic acid, bromo-, phenyl ester,bromoacetic acid phenyl ester,bromoacetic acid, phenyl ester,phenylbromessigester,phenyl bromoacetate #,acmc-209mzb,phenyl 2-bromanylethanoate,ksc352o8b
IUPAC Name	phenyl 2-bromoacetate
InChI Key	UEWYUCGVQMZMGY-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

8,543

4-Acetoxybiphenyl 99.0+%, TCI America™

CAS: 148-86-7 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014979 InChI Key: MISFQCBPASYYGV-UHFFFAOYSA-N Synonym: 4-acetoxybiphenyl,4-biphenylyl acetate,p-phenylphenyl acetate,4-biphenylol, acetate,1,1'-biphenyl-4-yl acetate,acetic acid 4-biphenyl ester,1,1'-biphenyl-4-ol,4-acetate,4-biphenyl acetate,p-phenylphenol acetate,4-phenylphenol acetate PubChem CID: 346066 IUPAC Name: [1,1'-biphenyl]-4-yl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	346066
CAS	148-86-7
Molecular Weight (g/mol)	212.25
MDL Number	MFCD00014979
SMILES	CC(=O)OC1=CC=C(C=C1)C1=CC=CC=C1
Synonym	4-acetoxybiphenyl,4-biphenylyl acetate,p-phenylphenyl acetate,4-biphenylol, acetate,1,1'-biphenyl-4-yl acetate,acetic acid 4-biphenyl ester,1,1'-biphenyl-4-ol,4-acetate,4-biphenyl acetate,p-phenylphenol acetate,4-phenylphenol acetate
IUPAC Name	[1,1'-biphenyl]-4-yl acetate
InChI Key	MISFQCBPASYYGV-UHFFFAOYSA-N
Molecular Formula	C14H12O2

8,544

3-Acetoxybenzaldehyde 98.0+%, TCI America™

CAS: 34231-78-2 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00016603 InChI Key: GVUMZPWBUAGJBP-UHFFFAOYSA-N Synonym: 3-acetoxybenzaldehyde,benzaldehyde, 3-acetyloxy,acetoxybenzaldehyde,acetic acid 3-formylphenyl ester,m-acetoxybenzaldehyde,m-ace-toxybenzaldehyde,meta-acetoxybenzaldehyde,pubchem13227,3-formylphenyl acetate PubChem CID: 118618 IUPAC Name: (3-formylphenyl) acetate SMILES: CC(=O)OC1=CC=CC(=C1)C=O

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Specifications

PubChem CID	118618
CAS	34231-78-2
Molecular Weight (g/mol)	164.16
MDL Number	MFCD00016603
SMILES	CC(=O)OC1=CC=CC(=C1)C=O
Synonym	3-acetoxybenzaldehyde,benzaldehyde, 3-acetyloxy,acetoxybenzaldehyde,acetic acid 3-formylphenyl ester,m-acetoxybenzaldehyde,m-ace-toxybenzaldehyde,meta-acetoxybenzaldehyde,pubchem13227,3-formylphenyl acetate
IUPAC Name	(3-formylphenyl) acetate
InChI Key	GVUMZPWBUAGJBP-UHFFFAOYSA-N
Molecular Formula	C9H8O3

8,545

2-tert-Butylanthracene 98.0+%, TCI America™

CAS: 18801-00-8 Molecular Formula: C18H18 Molecular Weight (g/mol): 234.342 MDL Number: MFCD00003581 InChI Key: WBPXZSIKOVBSAS-UHFFFAOYSA-N PubChem CID: 87800 IUPAC Name: 2-tert-butylanthracene SMILES: CC(C)(C)C1=CC2=CC3=CC=CC=C3C=C2C=C1

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Specifications

PubChem CID	87800
CAS	18801-00-8
Molecular Weight (g/mol)	234.342
MDL Number	MFCD00003581
SMILES	CC(C)(C)C1=CC2=CC3=CC=CC=C3C=C2C=C1
IUPAC Name	2-tert-butylanthracene
InChI Key	WBPXZSIKOVBSAS-UHFFFAOYSA-N
Molecular Formula	C18H18

8,546

1-Bromoanthracene 97.0+%, TCI America™

CAS: 7397-92-4 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD08276282 InChI Key: XMWJLKOCNKJERQ-UHFFFAOYSA-N PubChem CID: 12529827 IUPAC Name: 1-bromoanthracene SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3Br

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Specifications

PubChem CID	12529827
CAS	7397-92-4
Molecular Weight (g/mol)	257.13
MDL Number	MFCD08276282
SMILES	C1=CC=C2C=C3C(=CC2=C1)C=CC=C3Br
IUPAC Name	1-bromoanthracene
InChI Key	XMWJLKOCNKJERQ-UHFFFAOYSA-N
Molecular Formula	C14H9Br

8,547

2,8-Dimethylanthra[2,3-b:7,6-b']dithiophene (purified by sublimation), TCI America™

CAS: 1392416-39-5 Molecular Formula: C20H14S2 Molecular Weight (g/mol): 318.452 InChI Key: JSJKBPBSELKJQI-UHFFFAOYSA-N Synonym: syn-DMADT PubChem CID: 102290570 SMILES: CC1=CC2=CC3=CC4=CC5=C(C=C4C=C3C=C2S1)SC(=C5)C

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Specifications

PubChem CID	102290570
CAS	1392416-39-5
Molecular Weight (g/mol)	318.452
SMILES	CC1=CC2=CC3=CC4=CC5=C(C=C4C=C3C=C2S1)SC(=C5)C
Synonym	syn-DMADT
InChI Key	JSJKBPBSELKJQI-UHFFFAOYSA-N
Molecular Formula	C20H14S2

8,548

9-Bromoanthracene 99.0+%, TCI America™

CAS: 1564-64-3 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD00001243 InChI Key: ZIRVQSRSPDUEOJ-UHFFFAOYSA-N Synonym: anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 PubChem CID: 74062 IUPAC Name: 9-bromoanthracene SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br

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Specifications

PubChem CID	74062
CAS	1564-64-3
Molecular Weight (g/mol)	257.13
MDL Number	MFCD00001243
SMILES	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
Synonym	anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080
IUPAC Name	9-bromoanthracene
InChI Key	ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
Molecular Formula	C14H9Br

8,549

9,10-Bis(phenylethynyl)anthracene 98.0+%, TCI America™

CAS: 10075-85-1 Molecular Formula: C30H18 Molecular Weight (g/mol): 378.474 MDL Number: MFCD00012050 InChI Key: ZHBOFZNNPZNWGB-UHFFFAOYSA-N Synonym: 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene PubChem CID: 82338 ChEBI: CHEBI:51675 IUPAC Name: 9,10-bis(2-phenylethynyl)anthracene SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5

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Specifications

PubChem CID	82338
CAS	10075-85-1
Molecular Weight (g/mol)	378.474
ChEBI	CHEBI:51675
MDL Number	MFCD00012050
SMILES	C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
Synonym	9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene
IUPAC Name	9,10-bis(2-phenylethynyl)anthracene
InChI Key	ZHBOFZNNPZNWGB-UHFFFAOYSA-N
Molecular Formula	C30H18

8,550

2-Aminoanthracene 98.0+%, TCI America™

CAS: 613-13-8 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00003582 InChI Key: YCSBALJAGZKWFF-UHFFFAOYSA-N Synonym: 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 PubChem CID: 11937 ChEBI: CHEBI:34260 IUPAC Name: anthracen-2-amine SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N

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Specifications

PubChem CID	11937
CAS	613-13-8
Molecular Weight (g/mol)	193.249
ChEBI	CHEBI:34260
MDL Number	MFCD00003582
SMILES	C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
Synonym	2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458
IUPAC Name	anthracen-2-amine
InChI Key	YCSBALJAGZKWFF-UHFFFAOYSA-N
Molecular Formula	C14H11N

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