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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91 – 105 of 119,861 results

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p-Tolualdehyde, 97%

CAS: 104-87-0 Molecular Formula: C₈H₈O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O

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PubChem CID	7725
CAS	104-87-0
Molecular Weight (g/mol)	120.15
ChEBI	CHEBI:28617
MDL Number	MFCD00006954
SMILES	CC1=CC=C(C=C1)C=O
Synonym	p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde
IUPAC Name	4-methylbenzaldehyde
InChI Key	FXLOVSHXALFLKQ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O

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4-Fluorobenzaldehyde, 98%

CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F

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PubChem CID	68023
CAS	459-57-4
Molecular Weight (g/mol)	124.114
MDL Number	MFCD00003378
SMILES	C1=CC(=CC=C1C=O)F
Synonym	p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde
IUPAC Name	4-fluorobenzaldehyde
InChI Key	UOQXIWFBQSVDPP-UHFFFAOYSA-N
Molecular Formula	C7H5FO

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m-Toluic acid, 99%

CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O

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PubChem CID	7418
CAS	99-04-7
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:10589
MDL Number	MFCD00002523
SMILES	CC1=CC=CC(=C1)C(O)=O
Synonym	m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext
IUPAC Name	3-methylbenzoic acid
InChI Key	GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Molecular Formula	C8H8O2

Fluconazole, 99%

CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 MDL Number: MFCD00274549 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

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PubChem CID	3365
CAS	86386-73-4
Molecular Weight (g/mol)	306.277
ChEBI	CHEBI:46081
MDL Number	MFCD00274549
SMILES	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Synonym	fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol
IUPAC Name	2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
InChI Key	RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula	C13H12F2N6O

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Diphenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

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PubChem CID	7583
CAS	101-84-8
Molecular Weight (g/mol)	170.211
ChEBI	CHEBI:39258
MDL Number	MFCD00003034
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym	diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name	phenoxybenzene
InChI Key	USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula	C12H10O

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sym-Diphenylcarbazide, 98%, ACS reagent

CAS: 140-22-7 Molecular Formula: C₁₃H₁₄N₄O Molecular Weight (g/mol): 242.28 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

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PubChem CID	8789
CAS	140-22-7
Molecular Weight (g/mol)	242.28
ChEBI	CHEBI:4641
SMILES	C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym	1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name	1,3-dianilinourea
InChI Key	KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₄N₄O

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Benzyl chloride, 99%, stab.

CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.583 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl

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PubChem CID	7503
CAS	100-44-7
Molecular Weight (g/mol)	126.583
ChEBI	CHEBI:615597
MDL Number	MFCD00000889
SMILES	C1=CC=C(C=C1)CCl
Synonym	benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol
IUPAC Name	chloromethylbenzene
InChI Key	KCXMKQUNVWSEMD-UHFFFAOYSA-N
Molecular Formula	C7H7Cl

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n-Butyl 4-hydroxybenzoate, 99+%

CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

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PubChem CID	7184
CAS	94-26-8
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00016478
SMILES	CCCCOC(=O)C1=CC=C(C=C1)O
Synonym	butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl
IUPAC Name	butyl 4-hydroxybenzoate
InChI Key	QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Formula	C11H14O3

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Diethyl phthalate, 99%

CAS: 84-66-2 Molecular Formula: C₁₂H₁₄O₄ Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

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PubChem CID	6781
CAS	84-66-2
Molecular Weight (g/mol)	222.24
ChEBI	CHEBI:34698
MDL Number	MFCD00009111
SMILES	CCOC(=O)C1=CC=CC=C1C(=O)OCC
Synonym	diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e
IUPAC Name	diethyl benzene-1,2-dicarboxylate
InChI Key	FLKPEMZONWLCSK-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₄O₄

100

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Thermo Scientific Chemicals Crystal violet, ACS reagent

CAS: 548-62-9 | C₂₅H₃₀ClN₃ | 407.99 g/mol

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Specifications

Molecular Weight (g/mol)	407.99
ChEBI	CHEBI:41688
Grade	ACS Reagent
SMILES	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
Merck Index	15,443
InChI Key	ZXJXZNDDNMQXFV-UHFFFAOYSA-M
PubChem CID	11057
CAS	90-94-8
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Immediately call a POISON CENTER
Health Hazard 2	GHS H Statement Very toxic to aquatic life with long lasting effects. Harmful if swallowed. Causes serious eye damage. Suspected of causing cancer.
Solubility Information	Solubility in water: 16g/L (25°C). Other solubilities: soluble in chloroform,1g/10 mL alcohol,1g/15 mL glycerin,practically insoluble in ether
Health Hazard 1	GHS Signal Word: Danger
Synonym	crystal violet,gentian violet,basic violet 3,methylrosaniline chloride,aniline violet,hexamethyl violet,gentiaverm,hexamethylpararosaniline chloride,pyoktanin,adergon
IUPAC Name	[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride
Molecular Formula	C₂₅H₃₀ClN₃
EINECS Number	208-953-6
Formula Weight	407.99
Melting Point	173°C

101

Dextromethorphan hydrobromide

CAS: 125-69-9 Molecular Formula: C18H26BrNO Molecular Weight (g/mol): 352.316 MDL Number: MFCD02173901 InChI Key: MISZALMBODQYFT-URVXVIKDSA-N Synonym: dextromethorphan hydrobromide,antussan,demorphan,dormethan,metrorat,medicon,tusilan,tussade,d-methorphan hydrobromide,romilar PubChem CID: 5464025 SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br

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PubChem CID	5464025
CAS	125-69-9
Molecular Weight (g/mol)	352.316
MDL Number	MFCD02173901
SMILES	CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br
Synonym	dextromethorphan hydrobromide,antussan,demorphan,dormethan,metrorat,medicon,tusilan,tussade,d-methorphan hydrobromide,romilar
InChI Key	MISZALMBODQYFT-URVXVIKDSA-N
Molecular Formula	C18H26BrNO

102

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PubChem CID	7725
CAS	104-87-0
Molecular Weight (g/mol)	120.15
ChEBI	CHEBI:28617
MDL Number	MFCD00006954
SMILES	CC1=CC=C(C=C1)C=O
Synonym	p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde
IUPAC Name	4-methylbenzaldehyde
InChI Key	FXLOVSHXALFLKQ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O

103

Styrene (stabilized with TBC) 99.0+%, TCI America™

CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: ethenylbenzene SMILES: C=CC1=CC=CC=C1

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PubChem CID	7501
CAS	100-42-5
Molecular Weight (g/mol)	104.15
ChEBI	CHEBI:27452
MDL Number	MFCD00008612,MFCD00084450
SMILES	C=CC1=CC=CC=C1
Synonym	ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene
IUPAC Name	ethenylbenzene
InChI Key	PPBRXRYQALVLMV-UHFFFAOYSA-N
Molecular Formula	C8H8

104

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3-Methoxybenzaldehyde, 98%

CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O

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PubChem CID	11569
CAS	591-31-1
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00003361
SMILES	COC1=CC=CC(=C1)C=O
Synonym	m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh
IUPAC Name	3-methoxybenzaldehyde
InChI Key	WMPDAIZRQDCGFH-UHFFFAOYSA-N
Molecular Formula	C8H8O2

105

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1,2-Phthalic dicarboxaldehyde, 98+%

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: O=CC1=CC=CC=C1C=O

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PubChem CID	4807
CAS	643-79-8
Molecular Weight (g/mol)	134.13
ChEBI	CHEBI:70851
MDL Number	MFCD00003335
SMILES	O=CC1=CC=CC=C1C=O
Synonym	o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde
IUPAC Name	phthalaldehyde
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2

Benzene and substituted derivatives

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