Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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2,356 – 2,370 of 158,052 results

2,356

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3-Bromophenylhydrazine hydrochloride, 98%

CAS: 27246-81-7 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.50 MDL Number: MFCD00012933 InChI Key: RPYIPFXHIKXRKS-UHFFFAOYSA-N Synonym: 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx PubChem CID: 33757 IUPAC Name: (3-bromophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC(Br)=C1

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PubChem CID	33757
CAS	27246-81-7
Molecular Weight (g/mol)	223.50
MDL Number	MFCD00012933
SMILES	[H+].[Cl-].NNC1=CC=CC(Br)=C1
Synonym	3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx
IUPAC Name	(3-bromophenyl)hydrazine;hydrochloride
InChI Key	RPYIPFXHIKXRKS-UHFFFAOYSA-N
Molecular Formula	C6H8BrClN2

2,357

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p-Tolyl chlorothionoformate, 97%

CAS: 937-63-3 Molecular Formula: C8H7ClOS Molecular Weight (g/mol): 186.65 MDL Number: MFCD00014466 InChI Key: UNCAXIZUVRKBMN-UHFFFAOYSA-N Synonym: 4-methylphenyl chlorothioformate,o-p-tolyl chlorothioformate,p-tolyl chlorothionoformate,4-tolyl chlorothionoformate,4-methylphenyl chloromethanethioate,o-4-methylphenyl chlorothioformate,carbonochloridothioic acid, o-4-methylphenyl ester,o-4-methylphenyl carbonochloridothioate,chlorothioformic acid p-tolyl ester,4-methylphenoxy methanethioyl chloride PubChem CID: 70305 IUPAC Name: O-(4-methylphenyl) chloromethanethioate SMILES: CC1=CC=C(OC(Cl)=S)C=C1

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Specifications

PubChem CID	70305
CAS	937-63-3
Molecular Weight (g/mol)	186.65
MDL Number	MFCD00014466
SMILES	CC1=CC=C(OC(Cl)=S)C=C1
Synonym	4-methylphenyl chlorothioformate,o-p-tolyl chlorothioformate,p-tolyl chlorothionoformate,4-tolyl chlorothionoformate,4-methylphenyl chloromethanethioate,o-4-methylphenyl chlorothioformate,carbonochloridothioic acid, o-4-methylphenyl ester,o-4-methylphenyl carbonochloridothioate,chlorothioformic acid p-tolyl ester,4-methylphenoxy methanethioyl chloride
IUPAC Name	O-(4-methylphenyl) chloromethanethioate
InChI Key	UNCAXIZUVRKBMN-UHFFFAOYSA-N
Molecular Formula	C8H7ClOS

2,358

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3-Fluorobenzylamine, 96%

CAS: 100-82-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD00008113 InChI Key: QVSVMNXRLWSNGS-UHFFFAOYSA-N Synonym: 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine PubChem CID: 66853 IUPAC Name: (3-fluorophenyl)methanamine SMILES: C1=CC(=CC(=C1)F)CN

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Specifications

PubChem CID	66853
CAS	100-82-3
Molecular Weight (g/mol)	125.146
MDL Number	MFCD00008113
SMILES	C1=CC(=CC(=C1)F)CN
Synonym	3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine
IUPAC Name	(3-fluorophenyl)methanamine
InChI Key	QVSVMNXRLWSNGS-UHFFFAOYSA-N
Molecular Formula	C7H8FN

2,359

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3,5-Bis(trifluoromethyl)styrene, 96%, stab.

CAS: 349-59-7 Molecular Formula: C10H6F6 Molecular Weight (g/mol): 240.15 MDL Number: MFCD00075538 InChI Key: LFICVUCVPKKPFF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab. PubChem CID: 2773242 IUPAC Name: 1-ethenyl-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F

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PubChem CID	2773242
CAS	349-59-7
Molecular Weight (g/mol)	240.15
MDL Number	MFCD00075538
SMILES	FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F
Synonym	3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab.
IUPAC Name	1-ethenyl-3,5-bis(trifluoromethyl)benzene
InChI Key	LFICVUCVPKKPFF-UHFFFAOYSA-N
Molecular Formula	C10H6F6

2,360

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2,3,5,6-Tetrafluorobenzotrifluoride, 98%

CAS: 651-80-9 Molecular Formula: C7HF7 Molecular Weight (g/mol): 218.074 MDL Number: MFCD00012385 InChI Key: ZVPAJILXQHMKMT-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorobenzotrifluoride,1,2,4,5-tetrafluoro-3-trifluoromethyl benzene,benzene, 1,2,4,5-tetrafluoro-3-trifluoromethyl,toluene, .alpha.,.alpha.,.alpha.,2,3,5,6-heptafluoro,4h-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluorobenzene,2,3,5,6-tetrafluorobenzotrifluoride_x000d_,alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1,2,4,5-tetrafluoro-3-trifluoromethyl benzene # PubChem CID: 136465 IUPAC Name: 1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene SMILES: C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F

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PubChem CID	136465
CAS	651-80-9
Molecular Weight (g/mol)	218.074
MDL Number	MFCD00012385
SMILES	C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F
Synonym	2,3,5,6-tetrafluorobenzotrifluoride,1,2,4,5-tetrafluoro-3-trifluoromethyl benzene,benzene, 1,2,4,5-tetrafluoro-3-trifluoromethyl,toluene, .alpha.,.alpha.,.alpha.,2,3,5,6-heptafluoro,4h-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluorobenzene,2,3,5,6-tetrafluorobenzotrifluoride_x000d_,alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1,2,4,5-tetrafluoro-3-trifluoromethyl benzene #
IUPAC Name	1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene
InChI Key	ZVPAJILXQHMKMT-UHFFFAOYSA-N
Molecular Formula	C7HF7

2,361

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5-Bromo-2,3-difluorophenol, 97%

CAS: 186590-26-1 Molecular Formula: C6H3BrF2O Molecular Weight (g/mol): 208.99 MDL Number: MFCD01631350 InChI Key: QAHCQGXGAYRHHW-UHFFFAOYSA-N PubChem CID: 2773307 IUPAC Name: 5-bromo-2,3-difluorophenol SMILES: C1=C(C=C(C(=C1F)F)O)Br

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PubChem CID	2773307
CAS	186590-26-1
Molecular Weight (g/mol)	208.99
MDL Number	MFCD01631350
SMILES	C1=C(C=C(C(=C1F)F)O)Br
IUPAC Name	5-bromo-2,3-difluorophenol
InChI Key	QAHCQGXGAYRHHW-UHFFFAOYSA-N
Molecular Formula	C6H3BrF2O

2,362

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3,6-Di-tert-butylfluorene, 98%

CAS: 58775-07-8 Molecular Formula: C21H26 Molecular Weight (g/mol): 278.44 MDL Number: MFCD02683109 InChI Key: IWUHFBNEZZKUEY-UHFFFAOYSA-N PubChem CID: 11140437 SMILES: CC(C)(C)C1=CC2=C(CC3=C2C=C(C=C3)C(C)(C)C)C=C1

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Specifications

PubChem CID	11140437
CAS	58775-07-8
Molecular Weight (g/mol)	278.44
MDL Number	MFCD02683109
SMILES	CC(C)(C)C1=CC2=C(CC3=C2C=C(C=C3)C(C)(C)C)C=C1
InChI Key	IWUHFBNEZZKUEY-UHFFFAOYSA-N
Molecular Formula	C21H26

2,363

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2,3,5,6-Tetrafluorobenzyl alcohol, 98%

CAS: 4084-38-2 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00792428 InChI Key: AGWVQASYTKCTCC-UHFFFAOYSA-N PubChem CID: 2734029 IUPAC Name: (2,3,5,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C(F)=CC(F)=C1F

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Specifications

PubChem CID	2734029
CAS	4084-38-2
Molecular Weight (g/mol)	180.10
MDL Number	MFCD00792428
SMILES	OCC1=C(F)C(F)=CC(F)=C1F
IUPAC Name	(2,3,5,6-tetrafluorophenyl)methanol
InChI Key	AGWVQASYTKCTCC-UHFFFAOYSA-N
Molecular Formula	C7H4F4O

2,364

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5-Bromo-2-hydroxybenzyl alcohol, 98%

CAS: 2316-64-5 Molecular Formula: C7H7BrO2 Molecular Weight (g/mol): 203.04 MDL Number: MFCD00004618 InChI Key: KNKRHSVKIORZQB-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxybenzyl alcohol,4-bromo-2-hydroxymethyl phenol,bromosaligenin,5-bromosalicyl alcohol,bromsalizol,5-bromosaligenin,5-bromo-2-hydroxybenzylalcohol,2-hydroxymethyl-4-bromophenol,benzenemethanol, 5-bromo-2-hydroxy,unii-y1uz53815e PubChem CID: 75342 IUPAC Name: 4-bromo-2-(hydroxymethyl)phenol SMILES: OCC1=CC(Br)=CC=C1O

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Specifications

PubChem CID	75342
CAS	2316-64-5
Molecular Weight (g/mol)	203.04
MDL Number	MFCD00004618
SMILES	OCC1=CC(Br)=CC=C1O
Synonym	5-bromo-2-hydroxybenzyl alcohol,4-bromo-2-hydroxymethyl phenol,bromosaligenin,5-bromosalicyl alcohol,bromsalizol,5-bromosaligenin,5-bromo-2-hydroxybenzylalcohol,2-hydroxymethyl-4-bromophenol,benzenemethanol, 5-bromo-2-hydroxy,unii-y1uz53815e
IUPAC Name	4-bromo-2-(hydroxymethyl)phenol
InChI Key	KNKRHSVKIORZQB-UHFFFAOYSA-N
Molecular Formula	C7H7BrO2

2,365

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4-Bromobenzaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals

CAS: 34421-94-8 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01863514 InChI Key: BFSNEBVTOODGHZ-UHFFFAOYSA-N Synonym: 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal PubChem CID: 688340 IUPAC Name: 1-bromo-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Br)C=C1

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PubChem CID	688340
CAS	34421-94-8
Molecular Weight (g/mol)	259.14
MDL Number	MFCD01863514
SMILES	CCOC(OCC)C1=CC=C(Br)C=C1
Synonym	4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal
IUPAC Name	1-bromo-4-(diethoxymethyl)benzene
InChI Key	BFSNEBVTOODGHZ-UHFFFAOYSA-N
Molecular Formula	C11H15BrO2

2,366

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Thermo Scientific Chemicals 5-Sulfosalicylic acid dihydrate, 99+%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

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Specifications

Molecular Weight (g/mol)	250.27
CAS Min %	99.0
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID	2723734
Name Note	p.a.
Percent Purity	99+%
Fieser	01,1118
Infrared Spectrum	Authentic
Formula Weight	254.22
Melting Point	106.0°C to 110.0°C
CAS Max %	100.0
Color	White
Physical Form	Crystalline Powder
Chemical Name or Material	5-Sulfosalicylic acid dihydrate
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Merck Index	15, 9094
Assay Percent Range	99+%
CAS	97-05-2
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if pre
MDL Number	MFCD00007508,MFCD00149540
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed.
Solubility Information	Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether
Packaging	Plastic bottle
Health Hazard 1	GHS Signal Word: Danger
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Beilstein	11, 411
Molecular Formula	C9H14O6S

2,367

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3,5-Dimethoxybenzyl alcohol, 99%

CAS: 705-76-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004641 InChI Key: AUDBREYGQOXIFT-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol PubChem CID: 69718 IUPAC Name: (3,5-dimethoxyphenyl)methanol SMILES: COC1=CC(OC)=CC(CO)=C1

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Specifications

PubChem CID	69718
CAS	705-76-0
Molecular Weight (g/mol)	168.19
MDL Number	MFCD00004641
SMILES	COC1=CC(OC)=CC(CO)=C1
Synonym	3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol
IUPAC Name	(3,5-dimethoxyphenyl)methanol
InChI Key	AUDBREYGQOXIFT-UHFFFAOYSA-N
Molecular Formula	C9H12O3

2,368

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3,4,5-Trimethoxyphenylacetonitrile, 97%

CAS: 13338-63-1 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.23 MDL Number: MFCD00001912 InChI Key: ACFJNTXCEQCDBX-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetonitrile,2-3,4,5-trimethoxyphenyl acetonitrile,3,4,5-trimethoxybenzyl cyanide,3,4,5-trimethoxybenzylnitrile,3,4,5-trimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylacetylnitryl,3,4,5-trimethoxyphenyl acetonitrile,acetonitrile, 3,4,5-trimethoxyphenyl,2-3,4,5-trimethoxyphenyl ethanenitrile PubChem CID: 25887 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetonitrile SMILES: COC1=CC(CC#N)=CC(OC)=C1OC

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PubChem CID	25887
CAS	13338-63-1
Molecular Weight (g/mol)	207.23
MDL Number	MFCD00001912
SMILES	COC1=CC(CC#N)=CC(OC)=C1OC
Synonym	3,4,5-trimethoxyphenylacetonitrile,2-3,4,5-trimethoxyphenyl acetonitrile,3,4,5-trimethoxybenzyl cyanide,3,4,5-trimethoxybenzylnitrile,3,4,5-trimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylacetylnitryl,3,4,5-trimethoxyphenyl acetonitrile,acetonitrile, 3,4,5-trimethoxyphenyl,2-3,4,5-trimethoxyphenyl ethanenitrile
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetonitrile
InChI Key	ACFJNTXCEQCDBX-UHFFFAOYSA-N
Molecular Formula	C11H13NO3

2,369

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4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 97%

CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC

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Specifications

PubChem CID	31211
CAS	122-48-5
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:68657
MDL Number	MFCD00048232
SMILES	CC(=O)CCC1=CC(=C(C=C1)O)OC
Synonym	zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl
IUPAC Name	4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChI Key	OJYLAHXKWMRDGS-UHFFFAOYSA-N
Molecular Formula	C11H14O3

2,370

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4-(Trifluoromethoxy)phenylhydrazine hydrochloride, 98%

CAS: 133115-72-7 Molecular Formula: C7H8ClF3N2O Molecular Weight (g/mol): 228.60 MDL Number: MFCD00053033 InChI Key: KQXZVSQCMVKMBK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenylhydrazine hydrochloride,4-trifluoromethoxy phenyl hydrazine hydrochloride,4-trifluoromethoxyphenylhydrazine hydrochloride,4-trifluoromethoxy phenylhydrazine hcl,4-trifluoromethoxyphenyl-hydrazine hcl,1-4-trifluoromethoxy phenyl hydrazine hydrochloride,p-trifluoromethoxy phenylhydrazine hydrochloride,hydrazine, 4-trifluoromethoxy phenyl-, monohydrochloride PubChem CID: 2777328 IUPAC Name: [4-(trifluoromethoxy)phenyl]hydrazine;hydrochloride SMILES: Cl.NNC1=CC=C(OC(F)(F)F)C=C1

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Specifications

PubChem CID	2777328
CAS	133115-72-7
Molecular Weight (g/mol)	228.60
MDL Number	MFCD00053033
SMILES	Cl.NNC1=CC=C(OC(F)(F)F)C=C1
Synonym	4-trifluoromethoxy phenylhydrazine hydrochloride,4-trifluoromethoxy phenyl hydrazine hydrochloride,4-trifluoromethoxyphenylhydrazine hydrochloride,4-trifluoromethoxy phenylhydrazine hcl,4-trifluoromethoxyphenyl-hydrazine hcl,1-4-trifluoromethoxy phenyl hydrazine hydrochloride,p-trifluoromethoxy phenylhydrazine hydrochloride,hydrazine, 4-trifluoromethoxy phenyl-, monohydrochloride
IUPAC Name	[4-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
InChI Key	KQXZVSQCMVKMBK-UHFFFAOYSA-N
Molecular Formula	C7H8ClF3N2O

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