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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3,421 – 3,435 of 57,008 results

3,421

Methyltriphenoxyphosphonium iodide, 95%

CAS: 17579-99-6 Molecular Formula: C₁₉H₁₈IO₃P Molecular Weight (g/mol): 452.22 MDL Number: MFCD00011911 InChI Key: VKTOBGBZBCELGC-UHFFFAOYSA-M Synonym: methyltriphenoxyphosphonium iodide,methyltriphenoxyphosphanium iodide,acmc-20ake2,triphenyl phosphite methoiodide,methyl triphenoxyphosphonium iodide,methyl triphenoxy phosphanium iodide,methyltriphenoxyphosphorus 1+ iodide,phosphorus 1+ ,methyltriphenoxy-, iodide 1:1 , t-4 PubChem CID: 2735090 IUPAC Name: methyl(triphenoxy)phosphanium;iodide SMILES: C[P+](OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3.[I-]

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Specifications

PubChem CID	2735090
CAS	17579-99-6
Molecular Weight (g/mol)	452.22
MDL Number	MFCD00011911
SMILES	C[P+](OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3.[I-]
Synonym	methyltriphenoxyphosphonium iodide,methyltriphenoxyphosphanium iodide,acmc-20ake2,triphenyl phosphite methoiodide,methyl triphenoxyphosphonium iodide,methyl triphenoxy phosphanium iodide,methyltriphenoxyphosphorus 1+ iodide,phosphorus 1+ ,methyltriphenoxy-, iodide 1:1 , t-4
IUPAC Name	methyl(triphenoxy)phosphanium;iodide
InChI Key	VKTOBGBZBCELGC-UHFFFAOYSA-M
Molecular Formula	C₁₉H₁₈IO₃P

3,422

Phenyl methanesulfonate, 98%

CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	316170
CAS	16156-59-5
Molecular Weight (g/mol)	172.20
MDL Number	MFCD00095143
SMILES	CS(=O)(=O)OC1=CC=CC=C1
Synonym	phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester
IUPAC Name	phenyl methanesulfonate
InChI Key	WXVUCMFEGJUVTN-UHFFFAOYSA-N
Molecular Formula	C7H8O3S

3,423

3,4-Dimethoxytoluene, 98%

CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC

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Specifications

PubChem CID	68126
CAS	494-99-5
Molecular Weight (g/mol)	152.193
MDL Number	MFCD00016651
SMILES	CC1=CC(=C(C=C1)OC)OC
Synonym	3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol
IUPAC Name	1,2-dimethoxy-4-methylbenzene
InChI Key	GYPMBQZAVBFUIZ-UHFFFAOYSA-N
Molecular Formula	C9H12O2

3,424

1,3-Dimethoxybenzene, 99%

CAS: 151-10-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008384 InChI Key: DPZNOMCNRMUKPS-UHFFFAOYSA-N Synonym: m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu PubChem CID: 9025 IUPAC Name: 1,3-dimethoxybenzene SMILES: COC1=CC(OC)=CC=C1

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Specifications

PubChem CID	9025
CAS	151-10-0
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00008384
SMILES	COC1=CC(OC)=CC=C1
Synonym	m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu
IUPAC Name	1,3-dimethoxybenzene
InChI Key	DPZNOMCNRMUKPS-UHFFFAOYSA-N
Molecular Formula	C8H10O2

3,425

3-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906352-96-3 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.223 MDL Number: MFCD09817520 InChI Key: OKPBLLHANTVVJS-UHFFFAOYSA-N Synonym: 3-6-methylpyrazin-2-yl oxy benzoic acid,benzoicacid, 3-6-methyl-2-pyrazinyl oxy,3-6-methylpyrazin-2-yloxy benzoic acid,benzoicacid,3-6-methyl-2-pyrazinyl oxy PubChem CID: 24229674 IUPAC Name: 3-(6-methylpyrazin-2-yl)oxybenzoic acid SMILES: CC1=CN=CC(=N1)OC2=CC=CC(=C2)C(=O)O

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Specifications

PubChem CID	24229674
CAS	906352-96-3
Molecular Weight (g/mol)	230.223
MDL Number	MFCD09817520
SMILES	CC1=CN=CC(=N1)OC2=CC=CC(=C2)C(=O)O
Synonym	3-6-methylpyrazin-2-yl oxy benzoic acid,benzoicacid, 3-6-methyl-2-pyrazinyl oxy,3-6-methylpyrazin-2-yloxy benzoic acid,benzoicacid,3-6-methyl-2-pyrazinyl oxy
IUPAC Name	3-(6-methylpyrazin-2-yl)oxybenzoic acid
InChI Key	OKPBLLHANTVVJS-UHFFFAOYSA-N
Molecular Formula	C12H10N2O3

3,426

2,4 to Dichlorophenoxyacetic acid, 98.0%, For FTIR analysis, MP Biomedicals™

CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

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Specifications

PubChem CID	1486
CAS	94-75-7
Molecular Weight (g/mol)	221.033
ChEBI	CHEBI:28854
MDL Number	MFCD00004300
SMILES	C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
Synonym	2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon
IUPAC Name	2-(2,4-dichlorophenoxy)acetic acid
InChI Key	OVSKIKFHRZPJSS-UHFFFAOYSA-N
Molecular Formula	C8H6Cl2O3

3,427

Methallyl phenyl ether, 96%

CAS: 5820-22-4 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008597 InChI Key: LECDNXOCIPRJNJ-UHFFFAOYSA-N Synonym: methallyl phenyl ether,2-methylallyloxy benzene,ether, 2-methylallyl phenyl,benzene, 2-methyl-2-propenyl oxy,2-methylallyl phenyl ether,2-methylprop-2-en-1-yl oxy benzene,2-methyl-2-propen-1-yl oxy benzene,phenyl-methallyl ether,acmc-1b20w PubChem CID: 79893 IUPAC Name: 2-methylprop-2-enoxybenzene SMILES: CC(=C)COC1=CC=CC=C1

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Specifications

PubChem CID	79893
CAS	5820-22-4
Molecular Weight (g/mol)	148.21
MDL Number	MFCD00008597
SMILES	CC(=C)COC1=CC=CC=C1
Synonym	methallyl phenyl ether,2-methylallyloxy benzene,ether, 2-methylallyl phenyl,benzene, 2-methyl-2-propenyl oxy,2-methylallyl phenyl ether,2-methylprop-2-en-1-yl oxy benzene,2-methyl-2-propen-1-yl oxy benzene,phenyl-methallyl ether,acmc-1b20w
IUPAC Name	2-methylprop-2-enoxybenzene
InChI Key	LECDNXOCIPRJNJ-UHFFFAOYSA-N
Molecular Formula	C10H12O

3,428

Triphenyl borate, 97%

CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3

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Specifications

PubChem CID	14182
CAS	1095-03-0
Molecular Weight (g/mol)	290.125
MDL Number	MFCD00059011
SMILES	B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym	triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester
IUPAC Name	triphenyl borate
InChI Key	MDCWDBMBZLORER-UHFFFAOYSA-N
Molecular Formula	C18H15BO3

3,429

2,4-Dichloro-5-isopropoxyaniline, 98%

CAS: 41200-96-8 Molecular Formula: C9H11Cl2NO Molecular Weight (g/mol): 220.093 MDL Number: MFCD00974411 InChI Key: RWRWIICNMOKBIQ-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine PubChem CID: 170476 IUPAC Name: 2,4-dichloro-5-propan-2-yloxyaniline SMILES: CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl

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Specifications

PubChem CID	170476
CAS	41200-96-8
Molecular Weight (g/mol)	220.093
MDL Number	MFCD00974411
SMILES	CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl
Synonym	2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine
IUPAC Name	2,4-dichloro-5-propan-2-yloxyaniline
InChI Key	RWRWIICNMOKBIQ-UHFFFAOYSA-N
Molecular Formula	C9H11Cl2NO

3,430

2-Phenoxyethanol, MP Biomedicals™

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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Specifications

PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:64275
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

3,431

Phenetole, 98+%

CAS: 103-73-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00009090 InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N Synonym: phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f PubChem CID: 7674 ChEBI: CHEBI:67129 IUPAC Name: ethoxybenzene SMILES: CCOC1=CC=CC=C1

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Specifications

PubChem CID	7674
CAS	103-73-1
Molecular Weight (g/mol)	122.167
ChEBI	CHEBI:67129
MDL Number	MFCD00009090
SMILES	CCOC1=CC=CC=C1
Synonym	phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f
IUPAC Name	ethoxybenzene
InChI Key	DLRJIFUOBPOJNS-UHFFFAOYSA-N
Molecular Formula	C8H10O

3,432

4-(Trifluoromethoxy)phenylacetic acid, 98%

CAS: 4315-07-5 MDL Number: MFCD00061239

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Specifications

CAS	4315-07-5
MDL Number	MFCD00061239

3,433

4-(Difluoromethoxy)aniline, 97%

CAS: 22236-10-8 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.136 MDL Number: MFCD00085005 InChI Key: NDEZTSHWEPQVBX-UHFFFAOYSA-N Synonym: 4-difluoromethoxy aniline,4-difluoromethoxy-phenylamine,p-difluoromethoxyaniline,4-amino-alpha,alpha-difluoroanisole,4-difluoromethoxy benzenamine,benzenamine, 4-difluoromethoxy,4-difluoromethoxy phenylamine,4-difluormethoxy anilin,pubchem8467 PubChem CID: 737363 IUPAC Name: 4-(difluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)F

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Specifications

PubChem CID	737363
CAS	22236-10-8
Molecular Weight (g/mol)	159.136
MDL Number	MFCD00085005
SMILES	C1=CC(=CC=C1N)OC(F)F
Synonym	4-difluoromethoxy aniline,4-difluoromethoxy-phenylamine,p-difluoromethoxyaniline,4-amino-alpha,alpha-difluoroanisole,4-difluoromethoxy benzenamine,benzenamine, 4-difluoromethoxy,4-difluoromethoxy phenylamine,4-difluormethoxy anilin,pubchem8467
IUPAC Name	4-(difluoromethoxy)aniline
InChI Key	NDEZTSHWEPQVBX-UHFFFAOYSA-N
Molecular Formula	C7H7F2NO

3,434

4-Ethoxybenzoic acid, 98+%

CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12093
CAS	619-86-3
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00002545
SMILES	CCOC1=CC=C(C=C1)C(=O)O
Synonym	p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid
IUPAC Name	4-ethoxybenzoic acid
InChI Key	SHSGDXCJYVZFTP-UHFFFAOYSA-N
Molecular Formula	C9H10O3

3,435

3-Phenoxy-1-propanol, 97%

CAS: 6180-61-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00039549 InChI Key: AWVDYRFLCAZENH-UHFFFAOYSA-N Synonym: 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether PubChem CID: 80319 IUPAC Name: 3-phenoxypropan-1-ol SMILES: OCCCOC1=CC=CC=C1

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Specifications

PubChem CID	80319
CAS	6180-61-6
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00039549
SMILES	OCCCOC1=CC=CC=C1
Synonym	3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether
IUPAC Name	3-phenoxypropan-1-ol
InChI Key	AWVDYRFLCAZENH-UHFFFAOYSA-N
Molecular Formula	C9H12O2

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