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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6,331 – 6,345 of 57,049 results

6,331

4'-Acetylbenzo-15-crown 5-Ether 97.0+%, TCI America™

CAS: 41757-95-3 Molecular Formula: C16H22O6 Molecular Weight (g/mol): 310.35 MDL Number: MFCD00188564 InChI Key: XNJYHEGDUAQGEE-UHFFFAOYSA-N Synonym: 2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene PubChem CID: 3038641 IUPAC Name: 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethan-1-one SMILES: CC(=O)C1=CC=C2OCCOCCOCCOCCOC2=C1

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Specifications

PubChem CID	3038641
CAS	41757-95-3
Molecular Weight (g/mol)	310.35
MDL Number	MFCD00188564
SMILES	CC(=O)C1=CC=C2OCCOCCOCCOCCOC2=C1
Synonym	2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene
IUPAC Name	1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethan-1-one
InChI Key	XNJYHEGDUAQGEE-UHFFFAOYSA-N
Molecular Formula	C16H22O6

6,332

6-Acetyl-2-benzoxazolinone 98.0+%, TCI America™

CAS: 54903-09-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD01664312 InChI Key: QXBNAXVXLAHDTE-UHFFFAOYSA-N Synonym: 6-acetyl-2 3h-benzoxazolone,2 3h-benzoxazolone, 6-acetyl,jpb 2,6-acetyl-2-benzoxazolinone,6-acetylbenzo d oxazol-2 3h-one,6-acetyl-2,3-dihydro-1,3-benzoxazol-2-one,acetyl-6 benzoxazolinone french,6-acetyl-3h-benzooxazol-2-one,6-acetyl-1,3-benzoxazol-2 3h-one,6-acetyl-2-oxo-3-hydrobenzoxazole PubChem CID: 689054 IUPAC Name: 6-acetyl-3H-1,3-benzoxazol-2-one SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)O2

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Specifications

PubChem CID	689054
CAS	54903-09-2
Molecular Weight (g/mol)	177.159
MDL Number	MFCD01664312
SMILES	CC(=O)C1=CC2=C(C=C1)NC(=O)O2
Synonym	6-acetyl-2 3h-benzoxazolone,2 3h-benzoxazolone, 6-acetyl,jpb 2,6-acetyl-2-benzoxazolinone,6-acetylbenzo d oxazol-2 3h-one,6-acetyl-2,3-dihydro-1,3-benzoxazol-2-one,acetyl-6 benzoxazolinone french,6-acetyl-3h-benzooxazol-2-one,6-acetyl-1,3-benzoxazol-2 3h-one,6-acetyl-2-oxo-3-hydrobenzoxazole
IUPAC Name	6-acetyl-3H-1,3-benzoxazol-2-one
InChI Key	QXBNAXVXLAHDTE-UHFFFAOYSA-N
Molecular Formula	C9H7NO3

6,333

2'-Acetonaphthone 98.0+%, TCI America™

CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1

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Specifications

PubChem CID	7122
CAS	93-08-3
Molecular Weight (g/mol)	170.211
ChEBI	CHEBI:52364
MDL Number	MFCD00004108
SMILES	CC(=O)C1=CC2=CC=CC=C2C=C1
Synonym	2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone
IUPAC Name	1-naphthalen-2-ylethanone
InChI Key	XSAYZAUNJMRRIR-UHFFFAOYSA-N
Molecular Formula	C12H10O

6,334

1'-Acetonaphthone 98.0+%, TCI America™

CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

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Specifications

PubChem CID	13663
CAS	941-98-0
Molecular Weight (g/mol)	170.211
MDL Number	MFCD00004013
SMILES	CC(=O)C1=CC=CC2=CC=CC=C21
Synonym	1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name	1-naphthalen-1-ylethanone
InChI Key	QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula	C12H10O

6,335

6-Acetyl-1-bromo-2-methoxynaphthalene 98.0+%, TCI America™

CAS: 84167-74-8 Molecular Formula: C13H11BrO2 Molecular Weight (g/mol): 279.133 MDL Number: MFCD00100832 InChI Key: KDDYYAXVVDTNND-UHFFFAOYSA-N Synonym: 5′C-Bromo-6′C-methoxy-2′C-acetonaphthone PubChem CID: 622178 IUPAC Name: 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br

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Specifications

PubChem CID	622178
CAS	84167-74-8
Molecular Weight (g/mol)	279.133
MDL Number	MFCD00100832
SMILES	CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br
Synonym	5′C-Bromo-6′C-methoxy-2′C-acetonaphthone
IUPAC Name	1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone
InChI Key	KDDYYAXVVDTNND-UHFFFAOYSA-N
Molecular Formula	C13H11BrO2

6,336

2,3,5,6-Tetrafluoro-1,4-phenylenediamine 98.0+%, TCI America™

CAS: 1198-64-7 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039767 InChI Key: FVFYRXJKYAVFSB-UHFFFAOYSA-N Synonym: 1,4-Diamino-2,3,5,6-tetrafluorobenzene PubChem CID: 70979 IUPAC Name: tetrafluorobenzene-1,4-diamine SMILES: NC1=C(F)C(F)=C(N)C(F)=C1F

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Specifications

PubChem CID	70979
CAS	1198-64-7
Molecular Weight (g/mol)	180.11
MDL Number	MFCD00039767
SMILES	NC1=C(F)C(F)=C(N)C(F)=C1F
Synonym	1,4-Diamino-2,3,5,6-tetrafluorobenzene
IUPAC Name	tetrafluorobenzene-1,4-diamine
InChI Key	FVFYRXJKYAVFSB-UHFFFAOYSA-N
Molecular Formula	C6H4F4N2

6,337

4-(Methylthio)benzyl Alcohol 98.0+%, TCI America™

CAS: 3446-90-0 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.227 MDL Number: MFCD00009706 InChI Key: MTXQKSQYMREAGJ-UHFFFAOYSA-N Synonym: 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole PubChem CID: 592968 IUPAC Name: (4-methylsulfanylphenyl)methanol SMILES: CSC1=CC=C(C=C1)CO

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Specifications

PubChem CID	592968
CAS	3446-90-0
Molecular Weight (g/mol)	154.227
MDL Number	MFCD00009706
SMILES	CSC1=CC=C(C=C1)CO
Synonym	4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole
IUPAC Name	(4-methylsulfanylphenyl)methanol
InChI Key	MTXQKSQYMREAGJ-UHFFFAOYSA-N
Molecular Formula	C8H10OS

6,338

2-(3-Chlorophenoxy)propionic Acid 98.0+%, TCI America™

CAS: 101-10-0 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 MDL Number: MFCD00009723 InChI Key: YNTJKQDWYXUTLZ-UHFFFAOYSA-N Synonym: 2-3-chlorophenoxy propionic acid,cloprop,2-3-chlorophenoxy propanoic acid,metachlorphenprop,fruitone cpa,propanoic acid, 2-3-chlorophenoxy,2-3-chlorophenoxy-propionic acid,amchem 3-cp,caswell no. 206,cloprop iso:prop PubChem CID: 7542 IUPAC Name: 2-(3-chlorophenoxy)propanoic acid SMILES: CC(C(=O)O)OC1=CC(=CC=C1)Cl

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Specifications

PubChem CID	7542
CAS	101-10-0
Molecular Weight (g/mol)	200.618
MDL Number	MFCD00009723
SMILES	CC(C(=O)O)OC1=CC(=CC=C1)Cl
Synonym	2-3-chlorophenoxy propionic acid,cloprop,2-3-chlorophenoxy propanoic acid,metachlorphenprop,fruitone cpa,propanoic acid, 2-3-chlorophenoxy,2-3-chlorophenoxy-propionic acid,amchem 3-cp,caswell no. 206,cloprop iso:prop
IUPAC Name	2-(3-chlorophenoxy)propanoic acid
InChI Key	YNTJKQDWYXUTLZ-UHFFFAOYSA-N
Molecular Formula	C9H9ClO3

6,339

2-Phenoxypropionic Acid 98.0+%, TCI America™

CAS: 940-31-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002643 InChI Key: SXERGJJQSKIUIC-UHFFFAOYSA-N Synonym: 2-phenoxypropionic acid,alpha-methylphenoxyacetic acid,propanoic acid, 2-phenoxy,alpha-phenoxypropionic acid,phenoxypropionic acid,acide phenoxy-2-propionique,propionic acid, 2-phenoxy,dl-2-phenoxypropionic acid,2rs-2-phenoxypropionic acid,acide phenoxy-2-propionique french PubChem CID: 13658 IUPAC Name: 2-phenoxypropanoic acid SMILES: CC(C(=O)O)OC1=CC=CC=C1

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Specifications

PubChem CID	13658
CAS	940-31-8
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00002643
SMILES	CC(C(=O)O)OC1=CC=CC=C1
Synonym	2-phenoxypropionic acid,alpha-methylphenoxyacetic acid,propanoic acid, 2-phenoxy,alpha-phenoxypropionic acid,phenoxypropionic acid,acide phenoxy-2-propionique,propionic acid, 2-phenoxy,dl-2-phenoxypropionic acid,2rs-2-phenoxypropionic acid,acide phenoxy-2-propionique french
IUPAC Name	2-phenoxypropanoic acid
InChI Key	SXERGJJQSKIUIC-UHFFFAOYSA-N
Molecular Formula	C9H10O3

6,340

4-Chloro-N-methylbenzylamine 97.0+%, TCI America™

CAS: 104-11-0 Molecular Formula: C8H10ClN Molecular Weight (g/mol): 155.625 MDL Number: MFCD00018749 InChI Key: LMBUJNXYGGNSAH-UHFFFAOYSA-N Synonym: 4-chloro-n-methylbenzylamine,n-methyl-4-chlorobenzylamine,1-4-chlorophenyl-n-methylmethanamine,n-4-chlorobenzyl-n-methylamine,4-chloro-benzyl-methyl-amine,4-chlorophenyl methyl methyl amine,4-chlorobenzyl methylamine,benzenemethanamine, 4-chloro-n-methyl,4-chlorobenzylmethylamine,p-chloro-n-methylbenzylamine PubChem CID: 66905 IUPAC Name: 1-(4-chlorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)Cl

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Specifications

PubChem CID	66905
CAS	104-11-0
Molecular Weight (g/mol)	155.625
MDL Number	MFCD00018749
SMILES	CNCC1=CC=C(C=C1)Cl
Synonym	4-chloro-n-methylbenzylamine,n-methyl-4-chlorobenzylamine,1-4-chlorophenyl-n-methylmethanamine,n-4-chlorobenzyl-n-methylamine,4-chloro-benzyl-methyl-amine,4-chlorophenyl methyl methyl amine,4-chlorobenzyl methylamine,benzenemethanamine, 4-chloro-n-methyl,4-chlorobenzylmethylamine,p-chloro-n-methylbenzylamine
IUPAC Name	1-(4-chlorophenyl)-N-methylmethanamine
InChI Key	LMBUJNXYGGNSAH-UHFFFAOYSA-N
Molecular Formula	C8H10ClN

6,341

(R)-1-Benzyl-3-pyrrolidinecarbonitrile 98.0+%, TCI America™

CAS: 157528-56-8 Molecular Formula: C12H14N2 Molecular Weight (g/mol): 186.258 MDL Number: MFCD09951967 InChI Key: RYCQUUNQHVAFSM-LBPRGKRZSA-N Synonym: (R)-1-Benzyl-3-cyanopyrrolidine PubChem CID: 1515497 IUPAC Name: (3R)-1-benzylpyrrolidine-3-carbonitrile SMILES: C1CN(CC1C#N)CC2=CC=CC=C2

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Specifications

PubChem CID	1515497
CAS	157528-56-8
Molecular Weight (g/mol)	186.258
MDL Number	MFCD09951967
SMILES	C1CN(CC1C#N)CC2=CC=CC=C2
Synonym	(R)-1-Benzyl-3-cyanopyrrolidine
IUPAC Name	(3R)-1-benzylpyrrolidine-3-carbonitrile
InChI Key	RYCQUUNQHVAFSM-LBPRGKRZSA-N
Molecular Formula	C12H14N2

6,342

Benzyltrimethylammonium Hydroxide (10% in Water), TCI America™

CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]

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Specifications

PubChem CID	66854
CAS	100-85-6
Molecular Weight (g/mol)	167.252
MDL Number	MFCD00008281
SMILES	C[N+](C)(C)CC1=CC=CC=C1.[OH-]
Synonym	benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide
IUPAC Name	benzyl(trimethyl)azanium;hydroxide
InChI Key	NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Molecular Formula	C10H17NO

6,343

N-Benzyldiethanolamine 98.0+%, TCI America™

CAS: 101-32-6 Molecular Formula: C11H17NO2 Molecular Weight (g/mol): 195.262 MDL Number: MFCD00020587 InChI Key: MIZIOHLLYXVEHJ-UHFFFAOYSA-N Synonym: 2,2′C-(Benzylimino)diethanol, N,N-Bis(2-hydroxyethyl)benzylamine PubChem CID: 7553 IUPAC Name: 2-[benzyl(2-hydroxyethyl)amino]ethanol SMILES: C1=CC=C(C=C1)CN(CCO)CCO

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Specifications

PubChem CID	7553
CAS	101-32-6
Molecular Weight (g/mol)	195.262
MDL Number	MFCD00020587
SMILES	C1=CC=C(C=C1)CN(CCO)CCO
Synonym	2,2′C-(Benzylimino)diethanol, N,N-Bis(2-hydroxyethyl)benzylamine
IUPAC Name	2-[benzyl(2-hydroxyethyl)amino]ethanol
InChI Key	MIZIOHLLYXVEHJ-UHFFFAOYSA-N
Molecular Formula	C11H17NO2

6,344

1-Benzyl-3-aminopyrrolidine 97.0+%, TCI America™

CAS: 18471-40-4 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00059036 InChI Key: HBVNLKQGRZPGRP-UHFFFAOYSA-N Synonym: 3-Amino-1-benzylpyrrolidine PubChem CID: 2756613 IUPAC Name: 1-benzylpyrrolidin-3-amine SMILES: C1CN(CC1N)CC2=CC=CC=C2

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Specifications

PubChem CID	2756613
CAS	18471-40-4
Molecular Weight (g/mol)	176.263
MDL Number	MFCD00059036
SMILES	C1CN(CC1N)CC2=CC=CC=C2
Synonym	3-Amino-1-benzylpyrrolidine
IUPAC Name	1-benzylpyrrolidin-3-amine
InChI Key	HBVNLKQGRZPGRP-UHFFFAOYSA-N
Molecular Formula	C11H16N2

6,345

Benzylamine Hydroiodide (Low water content) 98.0+%, TCI America™

CAS: 45579-91-7 Molecular Formula: C7H10IN Molecular Weight (g/mol): 235.068 InChI Key: PPCHYMCMRUGLHR-UHFFFAOYSA-N Synonym: Benzylammonium Iodide PubChem CID: 67825834 IUPAC Name: phenylmethanamine;hydroiodide SMILES: C1=CC=C(C=C1)CN.I

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Specifications

PubChem CID	67825834
CAS	45579-91-7
Molecular Weight (g/mol)	235.068
SMILES	C1=CC=C(C=C1)CN.I
Synonym	Benzylammonium Iodide
IUPAC Name	phenylmethanamine;hydroiodide
InChI Key	PPCHYMCMRUGLHR-UHFFFAOYSA-N
Molecular Formula	C7H10IN

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