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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6,946 – 6,960 of 57,364 results

6,946

3-Fluoro-4-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 115754-21-7 Molecular Formula: C8H4F4O2 Molecular Weight (g/mol): 208.112 MDL Number: MFCD00236279 InChI Key: HRIHSNPFVGMAKX-UHFFFAOYSA-N Synonym: 3-fluoro-4-trifluoromethyl benzoic acid,benzoic acid, 3-fluoro-4-trifluoromethyl,alpha,alpha,alpha,3-tetrafluoro-p-toluic acid,pubchem4970,acmc-1c70e,ksc179k4t,3-fluoro-4 trifluoromethyl benzoic acid,3-fluoro-4-trifluoromethyl-benzoic acid,3-fluoro-4-trifluoromethyl benzoicacid,3-fluoro-4-trifluoromethyl benzoic aicd PubChem CID: 688293 IUPAC Name: 3-fluoro-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F

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Specifications

PubChem CID	688293
CAS	115754-21-7
Molecular Weight (g/mol)	208.112
MDL Number	MFCD00236279
SMILES	C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F
Synonym	3-fluoro-4-trifluoromethyl benzoic acid,benzoic acid, 3-fluoro-4-trifluoromethyl,alpha,alpha,alpha,3-tetrafluoro-p-toluic acid,pubchem4970,acmc-1c70e,ksc179k4t,3-fluoro-4 trifluoromethyl benzoic acid,3-fluoro-4-trifluoromethyl-benzoic acid,3-fluoro-4-trifluoromethyl benzoicacid,3-fluoro-4-trifluoromethyl benzoic aicd
IUPAC Name	3-fluoro-4-(trifluoromethyl)benzoic acid
InChI Key	HRIHSNPFVGMAKX-UHFFFAOYSA-N
Molecular Formula	C8H4F4O2

6,947

4,4'-Isopropylidenediphenoxyacetic Acid 98.0+%, TCI America™

CAS: 3539-42-2 Molecular Formula: C19H20O6 Molecular Weight (g/mol): 344.36 MDL Number: MFCD00060114 InChI Key: ZYGPJSLWIIMUMO-UHFFFAOYSA-N Synonym: Bisphenol A O,O-Diacetic Acid PubChem CID: 12359775 IUPAC Name: 2-(4-{2-[4-(carboxymethoxy)phenyl]propan-2-yl}phenoxy)acetic acid SMILES: CC(C)(C1=CC=C(OCC(O)=O)C=C1)C1=CC=C(OCC(O)=O)C=C1

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Specifications

PubChem CID	12359775
CAS	3539-42-2
Molecular Weight (g/mol)	344.36
MDL Number	MFCD00060114
SMILES	CC(C)(C1=CC=C(OCC(O)=O)C=C1)C1=CC=C(OCC(O)=O)C=C1
Synonym	Bisphenol A O,O-Diacetic Acid
IUPAC Name	2-(4-{2-[4-(carboxymethoxy)phenyl]propan-2-yl}phenoxy)acetic acid
InChI Key	ZYGPJSLWIIMUMO-UHFFFAOYSA-N
Molecular Formula	C19H20O6

6,948

Hexyl 4-Hydroxybenzoate 98.0+%, TCI America™

CAS: 1083-27-8 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00016480 InChI Key: ULULAZKOCFNOIM-UHFFFAOYSA-N Synonym: Hexylparaben, 4-Hydroxybenzoic Acid Hexyl Ester PubChem CID: 14127 IUPAC Name: hexyl 4-hydroxybenzoate SMILES: CCCCCCOC(=O)C1=CC=C(C=C1)O

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Specifications

PubChem CID	14127
CAS	1083-27-8
Molecular Weight (g/mol)	222.284
MDL Number	MFCD00016480
SMILES	CCCCCCOC(=O)C1=CC=C(C=C1)O
Synonym	Hexylparaben, 4-Hydroxybenzoic Acid Hexyl Ester
IUPAC Name	hexyl 4-hydroxybenzoate
InChI Key	ULULAZKOCFNOIM-UHFFFAOYSA-N
Molecular Formula	C13H18O3

6,949

Ethyl Phenylsulfonylacetate 98.0+%, TCI America™

CAS: 7605-30-3 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD00025041 InChI Key: NJBWORPRIRNTLH-UHFFFAOYSA-N Synonym: Phenylsulfonylacetic Acid Ethyl Ester PubChem CID: 82078 IUPAC Name: ethyl 2-(benzenesulfonyl)acetate SMILES: CCOC(=O)CS(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	82078
CAS	7605-30-3
Molecular Weight (g/mol)	228.262
MDL Number	MFCD00025041
SMILES	CCOC(=O)CS(=O)(=O)C1=CC=CC=C1
Synonym	Phenylsulfonylacetic Acid Ethyl Ester
IUPAC Name	ethyl 2-(benzenesulfonyl)acetate
InChI Key	NJBWORPRIRNTLH-UHFFFAOYSA-N
Molecular Formula	C10H12O4S

6,950

3,5-Dinitroaniline 98.0+%, TCI America™

CAS: 618-87-1 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.123 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N PubChem CID: 12068 IUPAC Name: 3,5-dinitroaniline SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

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Specifications

PubChem CID	12068
CAS	618-87-1
Molecular Weight (g/mol)	183.123
MDL Number	MFCD00007263
SMILES	C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
IUPAC Name	3,5-dinitroaniline
InChI Key	MPBZUKLDHPOCLS-UHFFFAOYSA-N
Molecular Formula	C6H5N3O4

6,951

2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™

CAS: 1073062-59-5 Molecular Formula: C21H13Br2N3 Molecular Weight (g/mol): 467.164 MDL Number: MFCD25562933 InChI Key: DRQMSTXYCLCAHO-UHFFFAOYSA-N PubChem CID: 58382615 IUPAC Name: 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4

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Specifications

PubChem CID	58382615
CAS	1073062-59-5
Molecular Weight (g/mol)	467.164
MDL Number	MFCD25562933
SMILES	C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4
IUPAC Name	2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
InChI Key	DRQMSTXYCLCAHO-UHFFFAOYSA-N
Molecular Formula	C21H13Br2N3

6,952

N-Methyl-2-(4-methoxyphenyl)ethylamine 95.0+%, TCI America™

CAS: 4091-50-3 Molecular Formula: C10H15NO Molecular Weight (g/mol): 165.24 MDL Number: MFCD00870496 InChI Key: JCMWSVNNSPUNER-UHFFFAOYSA-N Synonym: 4-Methoxy-N-methylphenethylamine, 4-[2-(Methylamino)ethyl]anisole PubChem CID: 104735 ChEBI: CHEBI:75143 IUPAC Name: [2-(4-methoxyphenyl)ethyl](methyl)amine SMILES: CNCCC1=CC=C(OC)C=C1

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Specifications

PubChem CID	104735
CAS	4091-50-3
Molecular Weight (g/mol)	165.24
ChEBI	CHEBI:75143
MDL Number	MFCD00870496
SMILES	CNCCC1=CC=C(OC)C=C1
Synonym	4-Methoxy-N-methylphenethylamine, 4-[2-(Methylamino)ethyl]anisole
IUPAC Name	[2-(4-methoxyphenyl)ethyl](methyl)amine
InChI Key	JCMWSVNNSPUNER-UHFFFAOYSA-N
Molecular Formula	C10H15NO

6,953

(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 98.0+%, TCI America™

CAS: 16495-03-7 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00043000 InChI Key: DBFDSKSLTCMIPB-LBPRGKRZSA-N PubChem CID: 10878747 IUPAC Name: (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane SMILES: CC1(OCC(O1)COCC2=CC=CC=C2)C

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Specifications

PubChem CID	10878747
CAS	16495-03-7
Molecular Weight (g/mol)	222.284
MDL Number	MFCD00043000
SMILES	CC1(OCC(O1)COCC2=CC=CC=C2)C
IUPAC Name	(4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
InChI Key	DBFDSKSLTCMIPB-LBPRGKRZSA-N
Molecular Formula	C13H18O3

6,954

(R)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 97.0+%, TCI America™

CAS: 14347-83-2 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00066533 InChI Key: DBFDSKSLTCMIPB-GFCCVEGCSA-N PubChem CID: 10944055 IUPAC Name: (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane SMILES: CC1(OCC(O1)COCC2=CC=CC=C2)C

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Specifications

PubChem CID	10944055
CAS	14347-83-2
Molecular Weight (g/mol)	222.284
MDL Number	MFCD00066533
SMILES	CC1(OCC(O1)COCC2=CC=CC=C2)C
IUPAC Name	(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
InChI Key	DBFDSKSLTCMIPB-GFCCVEGCSA-N
Molecular Formula	C13H18O3

6,955

4-sec-Butylphenol 98.0+%, TCI America™

CAS: 99-71-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002375 InChI Key: ZUTYZAFDFLLILI-UHFFFAOYSA-N PubChem CID: 7453 ChEBI: CHEBI:34442 IUPAC Name: 4-butan-2-ylphenol SMILES: CCC(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	7453
CAS	99-71-8
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:34442
MDL Number	MFCD00002375
SMILES	CCC(C)C1=CC=C(C=C1)O
IUPAC Name	4-butan-2-ylphenol
InChI Key	ZUTYZAFDFLLILI-UHFFFAOYSA-N
Molecular Formula	C10H14O

6,956

Tolylene-2,6-diisocyanate 98.0+%, TCI America™

CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O

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Specifications

PubChem CID	7040
CAS	91-08-7
Molecular Weight (g/mol)	174.159
ChEBI	CHEBI:53557
MDL Number	MFCD00002010
SMILES	CC1=C(C=CC=C1N=C=O)N=C=O
Synonym	2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene
IUPAC Name	1,3-diisocyanato-2-methylbenzene
InChI Key	RUELTTOHQODFPA-UHFFFAOYSA-N
Molecular Formula	C9H6N2O2

6,957

Cholesterol Benzoate 96.0+%, TCI America™

CAS: 604-32-0 Molecular Formula: C34H50O2 Molecular Weight (g/mol): 490.77 MDL Number: MFCD00003635 InChI Key: UVZUFUGNHDDLRQ-UHFFFAOYNA-N Synonym: cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate PubChem CID: 2723613 IUPAC Name: 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl benzoate SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	2723613
CAS	604-32-0
Molecular Weight (g/mol)	490.77
MDL Number	MFCD00003635
SMILES	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1
Synonym	cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate
IUPAC Name	9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl benzoate
InChI Key	UVZUFUGNHDDLRQ-UHFFFAOYNA-N
Molecular Formula	C34H50O2

6,958

N,N'-Dibenzyl-4,13-diaza-18-crown 6-Ether 98.0+%, TCI America™

CAS: 69703-25-9 Molecular Formula: C26H38N2O4 Molecular Weight (g/mol): 442.6 MDL Number: MFCD00010831 InChI Key: WAHZGOBRKWVALN-UHFFFAOYSA-N PubChem CID: 3308751 IUPAC Name: 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane SMILES: C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3

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Specifications

PubChem CID	3308751
CAS	69703-25-9
Molecular Weight (g/mol)	442.6
MDL Number	MFCD00010831
SMILES	C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
IUPAC Name	7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
InChI Key	WAHZGOBRKWVALN-UHFFFAOYSA-N
Molecular Formula	C26H38N2O4

6,959

3-Iodoanisole 98.0+%, TCI America™

CAS: 766-85-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001048 InChI Key: RSHBAGGASAJQCH-UHFFFAOYSA-N Synonym: 3-iodoanisole,m-iodoanisole,benzene, 1-iodo-3-methoxy,anisole, m-iodo,m-methoxyiodobenzene,3-methoxyphenyl iodide,3-methoxyiodobenzene,1-iodo-3-methoxy-benzene,m-iodoanisol,m-iodo-anisole PubChem CID: 69839 IUPAC Name: 1-iodo-3-methoxybenzene SMILES: COC1=CC(=CC=C1)I

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Specifications

PubChem CID	69839
CAS	766-85-8
Molecular Weight (g/mol)	234.036
MDL Number	MFCD00001048
SMILES	COC1=CC(=CC=C1)I
Synonym	3-iodoanisole,m-iodoanisole,benzene, 1-iodo-3-methoxy,anisole, m-iodo,m-methoxyiodobenzene,3-methoxyphenyl iodide,3-methoxyiodobenzene,1-iodo-3-methoxy-benzene,m-iodoanisol,m-iodo-anisole
IUPAC Name	1-iodo-3-methoxybenzene
InChI Key	RSHBAGGASAJQCH-UHFFFAOYSA-N
Molecular Formula	C7H7IO

6,960

Bis[2-(4-methoxyphenoxy)ethyl] Ether 98.0+%, TCI America™

CAS: 104104-12-3 Molecular Formula: C18H22O5 Molecular Weight (g/mol): 318.369 MDL Number: MFCD00143755 InChI Key: AJXHXSKQHBJNPB-UHFFFAOYSA-N PubChem CID: 629140 IUPAC Name: 1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene SMILES: COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC

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Specifications

PubChem CID	629140
CAS	104104-12-3
Molecular Weight (g/mol)	318.369
MDL Number	MFCD00143755
SMILES	COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC
IUPAC Name	1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
InChI Key	AJXHXSKQHBJNPB-UHFFFAOYSA-N
Molecular Formula	C18H22O5

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Benzene and substituted derivatives

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