Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

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106 – 120 of 1,159 results

106

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Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.09 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M IUPAC Name: benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride SMILES: [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1

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Specifications

CAS	121-54-0
Molecular Weight (g/mol)	448.09
SMILES	[Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
IUPAC Name	benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C27H42ClNO2

107

1-Eth-1-ynyl-4-propylbenzene, 97%, Thermo Scientific™

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

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Specifications

PubChem CID	2775133
CAS	62452-73-7
Molecular Weight (g/mol)	144.217
MDL Number	MFCD00173886
SMILES	CCCC1=CC=C(C=C1)C#C
Synonym	4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name	1-ethynyl-4-propylbenzene
InChI Key	UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula	C11H12

108

3-[4-(tert-Butyl)phenyl]-5-(chloromethyl)-1,2,4-oxadiazole, Tech., Thermo Scientific™

CAS: 175204-40-7 Molecular Formula: C13H15ClN2O Molecular Weight (g/mol): 250.726 MDL Number: MFCD00124908 InChI Key: ZLQQUIHBQATFOP-UHFFFAOYSA-N Synonym: 3-4-tert-butylphenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butyl phenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butylphenyl-5-chloromethyl-1,2,4 oxadiazole,1,2,4-oxadiazole,5-chloromethyl-3-4-1,1-dimethylethyl phenyl,3-4-tert-butyl-phenyl-5-chloromethyl-1,2,4 o xadiazole PubChem CID: 2781701 IUPAC Name: 3-(4-tert-butylphenyl)-5-(chloromethyl)-1,2,4-oxadiazole SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCl

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Specifications

PubChem CID	2781701
CAS	175204-40-7
Molecular Weight (g/mol)	250.726
MDL Number	MFCD00124908
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCl
Synonym	3-4-tert-butylphenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butyl phenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butylphenyl-5-chloromethyl-1,2,4 oxadiazole,1,2,4-oxadiazole,5-chloromethyl-3-4-1,1-dimethylethyl phenyl,3-4-tert-butyl-phenyl-5-chloromethyl-1,2,4 o xadiazole
IUPAC Name	3-(4-tert-butylphenyl)-5-(chloromethyl)-1,2,4-oxadiazole
InChI Key	ZLQQUIHBQATFOP-UHFFFAOYSA-N
Molecular Formula	C13H15ClN2O

109

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4-tert-Butylphenol, 97%

CAS: 98-54-4 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002367 InChI Key: QHPQWRBYOIRBIT-UHFFFAOYSA-N Synonym: 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol PubChem CID: 7393 ChEBI: CHEBI:34444 IUPAC Name: 4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	7393
CAS	98-54-4
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:34444
MDL Number	MFCD00002367
SMILES	CC(C)(C)C1=CC=C(C=C1)O
Synonym	4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol
IUPAC Name	4-tert-butylphenol
InChI Key	QHPQWRBYOIRBIT-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O

110

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3,5-Di-tert-butyl-4-hydroxyphenylacetic acid, 98%

CAS: 1611-03-6 Molecular Formula: C16H24O3 Molecular Weight (g/mol): 264.365 MDL Number: MFCD00156138 InChI Key: QLMGIWHWWWXXME-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid PubChem CID: 2775110 IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O

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Specifications

PubChem CID	2775110
CAS	1611-03-6
Molecular Weight (g/mol)	264.365
MDL Number	MFCD00156138
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O
Synonym	3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid
IUPAC Name	2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
InChI Key	QLMGIWHWWWXXME-UHFFFAOYSA-N
Molecular Formula	C16H24O3

111

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2,4-Difluorophenylacetone, 98%

CAS: 274682-91-6 Molecular Formula: C₉H₈F₂O Molecular Weight (g/mol): 170.16 MDL Number: MFCD02258866 InChI Key: XVHHDTNIOCSTLH-UHFFFAOYSA-N Synonym: 1-2,4-difluorophenyl propan-2-one,2,4-difluorophenylacetone,2-propanone, 1-2,4-difluorophenyl,2,4-difluorophenyl propanone,1-2,4-difluorophenyl-2-propanone,1-2,4-difluoro-phenyl-propane-2-one PubChem CID: 2734881 IUPAC Name: 1-(2,4-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=C(C=C1)F)F

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Specifications

PubChem CID	2734881
CAS	274682-91-6
Molecular Weight (g/mol)	170.16
MDL Number	MFCD02258866
SMILES	CC(=O)CC1=C(C=C(C=C1)F)F
Synonym	1-2,4-difluorophenyl propan-2-one,2,4-difluorophenylacetone,2-propanone, 1-2,4-difluorophenyl,2,4-difluorophenyl propanone,1-2,4-difluorophenyl-2-propanone,1-2,4-difluoro-phenyl-propane-2-one
IUPAC Name	1-(2,4-difluorophenyl)propan-2-one
InChI Key	XVHHDTNIOCSTLH-UHFFFAOYSA-N
Molecular Formula	C₉H₈F₂O

112

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2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

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Specifications

PubChem CID	33712
CAS	1074-92-6
Molecular Weight (g/mol)	148.249
MDL Number	MFCD00059209
SMILES	CC1=CC=CC=C1C(C)(C)C
IUPAC Name	1-tert-butyl-2-methylbenzene
InChI Key	AXHVNJGQOJFMHT-UHFFFAOYSA-N
Molecular Formula	C11H16

113

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3,5-Di-tert-butylcatechol, 99%

CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

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Specifications

PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.328
MDL Number	MFCD00008819
SMILES	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym	3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula	C14H22O2

114

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4-tert-Butylaniline, 98+%

CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N

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PubChem CID	69861
CAS	769-92-6
Molecular Weight (g/mol)	149.237
MDL Number	MFCD00007899
SMILES	CC(C)(C)C1=CC=C(C=C1)N
Synonym	4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine
IUPAC Name	4-tert-butylaniline
InChI Key	WRDWWAVNELMWAM-UHFFFAOYSA-N
Molecular Formula	C10H15N

115

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4-Methylphenylacetone, 97+%

CAS: 2096-86-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00017250 InChI Key: NOXKUHSBIXPZBJ-UHFFFAOYSA-N Synonym: 4-methylphenylacetone,1-4-methylphenyl propan-2-one,1-p-tolyl propan-2-one,4-methylphenyl acetone,1-4-methylphenyl acetone,p-methylphenyl acetone,1-4-methylphenyl-2-propanone,2-propanone,1-4-methylphenyl,p-methylphenylacetone,acmc-20amd6 PubChem CID: 137428 IUPAC Name: 1-(4-methylphenyl)propan-2-one SMILES: CC1=CC=C(C=C1)CC(=O)C

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Specifications

PubChem CID	137428
CAS	2096-86-8
Molecular Weight (g/mol)	148.205
MDL Number	MFCD00017250
SMILES	CC1=CC=C(C=C1)CC(=O)C
Synonym	4-methylphenylacetone,1-4-methylphenyl propan-2-one,1-p-tolyl propan-2-one,4-methylphenyl acetone,1-4-methylphenyl acetone,p-methylphenyl acetone,1-4-methylphenyl-2-propanone,2-propanone,1-4-methylphenyl,p-methylphenylacetone,acmc-20amd6
IUPAC Name	1-(4-methylphenyl)propan-2-one
InChI Key	NOXKUHSBIXPZBJ-UHFFFAOYSA-N
Molecular Formula	C10H12O

116

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2,3-Dimethyl-2,3-diphenylbutane, 95%

CAS: 1889-67-4 Molecular Formula: C₁₈H₂₂ Molecular Weight (g/mol): 238.37 MDL Number: MFCD00053713 InChI Key: HGTUJZTUQFXBIH-UHFFFAOYSA-N Synonym: 2,3-dimethyl-2,3-diphenylbutane,dicumene,2,3-dimethylbutane-2,3-diyl dibenzene,dicumyl,butane, 2,3-dimethyl-2,3-diphenyl,benzene, 1,1'-1,1,2,2-tetramethyl-1,2-ethanediyl bis,.alpha.,.alpha.'-dicumyl,2,3-dimethyl-3-phenylbutan-2-yl benzene,bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl,1,1,2-trimethyl-2-phenylpropyl benzene PubChem CID: 74681 IUPAC Name: (2,3-dimethyl-3-phenylbutan-2-yl)benzene SMILES: CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2

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Specifications

PubChem CID	74681
CAS	1889-67-4
Molecular Weight (g/mol)	238.37
MDL Number	MFCD00053713
SMILES	CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2
Synonym	2,3-dimethyl-2,3-diphenylbutane,dicumene,2,3-dimethylbutane-2,3-diyl dibenzene,dicumyl,butane, 2,3-dimethyl-2,3-diphenyl,benzene, 1,1'-1,1,2,2-tetramethyl-1,2-ethanediyl bis,.alpha.,.alpha.'-dicumyl,2,3-dimethyl-3-phenylbutan-2-yl benzene,bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl,1,1,2-trimethyl-2-phenylpropyl benzene
IUPAC Name	(2,3-dimethyl-3-phenylbutan-2-yl)benzene
InChI Key	HGTUJZTUQFXBIH-UHFFFAOYSA-N
Molecular Formula	C₁₈H₂₂

117

Tyrphostin A9, 98+%

CAS: 10537-47-0 Molecular Formula: C18H22N2O Molecular Weight (g/mol): 282.387 MDL Number: MFCD00209853 InChI Key: MZOPWQKISXCCTP-UHFFFAOYSA-N Synonym: tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 PubChem CID: 5614 ChEBI: CHEBI:82168 IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N

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Specifications

PubChem CID	5614
CAS	10537-47-0
Molecular Weight (g/mol)	282.387
ChEBI	CHEBI:82168
MDL Number	MFCD00209853
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N
Synonym	tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200
IUPAC Name	2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
InChI Key	MZOPWQKISXCCTP-UHFFFAOYSA-N
Molecular Formula	C18H22N2O

118

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1-Phenyl-2-propanol, 98%

CAS: 14898-87-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1

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Specifications

PubChem CID	94185
CAS	14898-87-4
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004540
SMILES	CC(O)CC1=CC=CC=C1
Synonym	1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol
IUPAC Name	1-phenylpropan-2-ol
InChI Key	WYTRYIUQUDTGSX-UHFFFAOYNA-N
Molecular Formula	C9H12O

119

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4-Bromophenylacetone, 98%

CAS: 6186-22-7 Molecular Formula: C24H24N2O5S Molecular Weight (g/mol): 452.53 MDL Number: MFCD00210401 InChI Key: CDUPPXGKUKTGLU-UHFFFAOYSA-N Synonym: 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone PubChem CID: 736332 IUPAC Name: 1-(4-bromophenyl)propan-2-one SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	736332
CAS	6186-22-7
Molecular Weight (g/mol)	452.53
MDL Number	MFCD00210401
SMILES	COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1
Synonym	4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone
IUPAC Name	1-(4-bromophenyl)propan-2-one
InChI Key	CDUPPXGKUKTGLU-UHFFFAOYSA-N
Molecular Formula	C24H24N2O5S

120

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2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical

CAS: 52-51-7 Molecular Formula: C3H6BrNO4 Molecular Weight (g/mol): 199.99 InChI Key: LVDKZNITIUWNER-UHFFFAOYSA-N IUPAC Name: 2-bromo-2-nitropropane-1,3-diol SMILES: OCC(Br)(CO)[N+]([O-])=O

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Specifications

CAS	52-51-7
Molecular Weight (g/mol)	199.99
SMILES	OCC(Br)(CO)[N+]([O-])=O
IUPAC Name	2-bromo-2-nitropropane-1,3-diol
InChI Key	LVDKZNITIUWNER-UHFFFAOYSA-N
Molecular Formula	C3H6BrNO4

Phenylpropanes

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Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical

2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical