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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3,616 – 3,630 of 119,768 results

3,616

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3-Benzyloxybromobenzene, 96%

CAS: 53087-13-1 Molecular Formula: C₁₃H₁₁BrO Molecular Weight (g/mol): 263.13 InChI Key: HVWZMGZBJCJDOX-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065 PubChem CID: 2756638 IUPAC Name: 1-bromo-3-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)Br

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Specifications

PubChem CID	2756638
CAS	53087-13-1
Molecular Weight (g/mol)	263.13
SMILES	C1=CC=C(C=C1)COC2=CC(=CC=C2)Br
Synonym	1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065
IUPAC Name	1-bromo-3-phenylmethoxybenzene
InChI Key	HVWZMGZBJCJDOX-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₁BrO

3,617

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trans-4-Bromo-beta-nitrostyrene, 99%

CAS: 5153-71-9 Molecular Formula: C₈H₆BrNO₂ Molecular Weight (g/mol): 228.05 InChI Key: LSGVHLGCJIBLMB-AATRIKPKSA-N Synonym: 1-bromo-4-2-nitrovinyl benzene,e-1-bromo-4-2-nitrovinyl benzene,1-bromo-4-e-2-nitroethenyl benzene,trans-4-bromo-beta-nitrostyrene,benzene, 1-bromo-4-1e-2-nitroethenyl,beta-nitro-4-bromostyrene,4-bromo-.beta.-nitrostyrene,e-4-bromo-beta-nitrostyrene,1-bromo-4-e-2-nitrovinyl benzene PubChem CID: 688204 IUPAC Name: 1-bromo-4-[(E)-2-nitroethenyl]benzene SMILES: C1=CC(=CC=C1C=C[N+](=O)[O-])Br

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Specifications

PubChem CID	688204
CAS	5153-71-9
Molecular Weight (g/mol)	228.05
SMILES	C1=CC(=CC=C1C=C[N+](=O)[O-])Br
Synonym	1-bromo-4-2-nitrovinyl benzene,e-1-bromo-4-2-nitrovinyl benzene,1-bromo-4-e-2-nitroethenyl benzene,trans-4-bromo-beta-nitrostyrene,benzene, 1-bromo-4-1e-2-nitroethenyl,beta-nitro-4-bromostyrene,4-bromo-.beta.-nitrostyrene,e-4-bromo-beta-nitrostyrene,1-bromo-4-e-2-nitrovinyl benzene
IUPAC Name	1-bromo-4-[(E)-2-nitroethenyl]benzene
InChI Key	LSGVHLGCJIBLMB-AATRIKPKSA-N
Molecular Formula	C₈H₆BrNO₂

3,618

4,6-Dimethyl-2-nitroaniline, 97%

CAS: 1635-84-3 Molecular Formula: C₈H₁₀N₂O₂ Molecular Weight (g/mol): 166.18 InChI Key: VSRYYONYIUUFFY-UHFFFAOYSA-N Synonym: 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline PubChem CID: 74219 IUPAC Name: 2,4-dimethyl-6-nitroaniline SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C

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Specifications

PubChem CID	74219
CAS	1635-84-3
Molecular Weight (g/mol)	166.18
SMILES	CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C
Synonym	4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline
IUPAC Name	2,4-dimethyl-6-nitroaniline
InChI Key	VSRYYONYIUUFFY-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀N₂O₂

3,619

4,5-Dimethoxy-2-nitrobenzyl bromide, 97%

CAS: 53413-67-5 Molecular Formula: C₉H₁₀BrNO₄ Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC

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Specifications

PubChem CID	3016812
CAS	53413-67-5
Molecular Weight (g/mol)	276.09
SMILES	COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Synonym	1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene
IUPAC Name	1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI Key	UEKFEYNZISYRRH-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀BrNO₄

3,620

Benzyl alcohol, ACS reagent

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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Specifications

PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

3,621

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6-Methylsalicylic acid, 98%

CAS: 567-61-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD01194284 InChI Key: HCJMNOSIAGSZBM-UHFFFAOYSA-N Synonym: 6-methylsalicylic acid,6-hydroxy-o-toluic acid,2,6-cresotic acid,6-msa,benzoic acid, 2-hydroxy-6-methyl,6-ms,methylsalicylic acid,2-hydroxy-6-methylbenzoicacid,unii-l5352fe23y,2-carboxy-3-methylphenol PubChem CID: 11279 ChEBI: CHEBI:17637 IUPAC Name: 2-hydroxy-6-methylbenzoic acid SMILES: CC1=CC=CC(O)=C1C(O)=O

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Specifications

PubChem CID	11279
CAS	567-61-3
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:17637
MDL Number	MFCD01194284
SMILES	CC1=CC=CC(O)=C1C(O)=O
Synonym	6-methylsalicylic acid,6-hydroxy-o-toluic acid,2,6-cresotic acid,6-msa,benzoic acid, 2-hydroxy-6-methyl,6-ms,methylsalicylic acid,2-hydroxy-6-methylbenzoicacid,unii-l5352fe23y,2-carboxy-3-methylphenol
IUPAC Name	2-hydroxy-6-methylbenzoic acid
InChI Key	HCJMNOSIAGSZBM-UHFFFAOYSA-N
Molecular Formula	C8H8O3

3,622

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Ethyl maltol, 98%

CAS: 11-8-4940 Molecular Formula: C₇H₈O₃ Molecular Weight (g/mol): 140.14

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Specifications

CAS	11-8-4940
Molecular Weight (g/mol)	140.14
Molecular Formula	C₇H₈O₃

3,623

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4-Iodophenylacetic acid, 97%

CAS: 1798-06-7 Molecular Formula: C₈H₇IO₂ Molecular Weight (g/mol): 262.05 InChI Key: FJSHTWVDFAUNCO-UHFFFAOYSA-N Synonym: 4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid PubChem CID: 137214 IUPAC Name: 2-(4-iodophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)I

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Specifications

PubChem CID	137214
CAS	1798-06-7
Molecular Weight (g/mol)	262.05
SMILES	C1=CC(=CC=C1CC(=O)O)I
Synonym	4-iodophenylacetic acid,2-4-iodophenyl acetic acid,4-iodophenyl acetic acid,4-iodophenylaceticacid,p-iodophenylacetic acid,benzeneacetic acid, 4-iodo,4-iodo-phenyl-acetic acid,pubchem18835,4-iodoohenylacetic acid,4-iodobenzeneacetic acid
IUPAC Name	2-(4-iodophenyl)acetic acid
InChI Key	FJSHTWVDFAUNCO-UHFFFAOYSA-N
Molecular Formula	C₈H₇IO₂

3,624

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3-Benzyloxy-1-propanol, 97%

CAS: 4799-68-2 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00029659 InChI Key: FUCYABRIJPUVAT-UHFFFAOYSA-N Synonym: 3-benzyloxy-1-propanol,3-benzyloxy propan-1-ol,3-benzyloxypropanol,1-propanol, 3-phenylmethoxy,3-benzyloxy-propan-1-ol,1-propanol, 3-benzyloxy,3-benzyloxypropan-1-ol,3-benzyloxy-propane-1-ol,3-benzyl-oxy propan-1-ol PubChem CID: 347971 SMILES: OCCCOCC1=CC=CC=C1

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Specifications

PubChem CID	347971
CAS	4799-68-2
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00029659
SMILES	OCCCOCC1=CC=CC=C1
Synonym	3-benzyloxy-1-propanol,3-benzyloxy propan-1-ol,3-benzyloxypropanol,1-propanol, 3-phenylmethoxy,3-benzyloxy-propan-1-ol,1-propanol, 3-benzyloxy,3-benzyloxypropan-1-ol,3-benzyloxy-propane-1-ol,3-benzyl-oxy propan-1-ol
InChI Key	FUCYABRIJPUVAT-UHFFFAOYSA-N
Molecular Formula	C10H14O2

3,625

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4-Ethynylbenzaldehyde, 95%

CAS: 63697-96-1 Molecular Formula: C₉H₆O Molecular Weight (g/mol): 130.15 InChI Key: BGMHQBQFJYJLBP-UHFFFAOYSA-N PubChem CID: 2771645 IUPAC Name: 4-ethynylbenzaldehyde SMILES: C#CC1=CC=C(C=C1)C=O

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Specifications

PubChem CID	2771645
CAS	63697-96-1
Molecular Weight (g/mol)	130.15
SMILES	C#CC1=CC=C(C=C1)C=O
IUPAC Name	4-ethynylbenzaldehyde
InChI Key	BGMHQBQFJYJLBP-UHFFFAOYSA-N
Molecular Formula	C₉H₆O

3,626

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2-(Methylsulfonyl)phenol, 98%

CAS: 27489-33-4 Molecular Formula: C₇H₈O₃S Molecular Weight (g/mol): 172.2 InChI Key: ZWTZHHHSRDUVRT-UHFFFAOYSA-N PubChem CID: 598998 IUPAC Name: 2-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=CC=C1O

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Specifications

PubChem CID	598998
CAS	27489-33-4
Molecular Weight (g/mol)	172.2
SMILES	CS(=O)(=O)C1=CC=CC=C1O
IUPAC Name	2-methylsulfonylphenol
InChI Key	ZWTZHHHSRDUVRT-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₃S

3,627

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Atenolol, 98%

CAS: 29122-68-7 Molecular Formula: C₁₄H₂₂N₂O₃ Molecular Weight (g/mol): 266.34 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O

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Specifications

PubChem CID	2249
CAS	29122-68-7
Molecular Weight (g/mol)	266.34
ChEBI	CHEBI:2904
SMILES	CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
Synonym	atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm
IUPAC Name	2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
InChI Key	METKIMKYRPQLGS-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₂N₂O₃

3,628

Thermo Scientific Chemicals Fluconazole, 98%

CAS: 86386-73-4 Molecular Formula: C₁₃H₁₂F₂N₆O Molecular Weight (g/mol): 306.27 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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Specifications

PubChem CID	3365
CAS	86386-73-4
Molecular Weight (g/mol)	306.27
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

3,629

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Thermo Scientific Chemicals Salbutamol hemisulfate, 98%

CAS: 51022-70-9 Molecular Formula: C₁₃H₂₁NO₃·₁/₂H₂SO₄ Molecular Weight (g/mol): 288.35 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

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Specifications

PubChem CID	9884233
CAS	51022-70-9
Molecular Weight (g/mol)	288.35
SMILES	CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
Synonym	salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate
IUPAC Name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
InChI Key	OVICLFZZVQVVFT-UHFFFAOYSA-N
Molecular Formula	C₁₃H₂₁NO₃·₁/₂H₂SO₄

3,630

Benzyl alcohol, specified according to requirements of Ph.Eur.

Pricing & Availability
Specifications

PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

Benzene and substituted derivatives

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