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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5,041 – 5,055 of 69,577 results

5,041

Propylbenzene 99.0+%, TCI America™

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

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Specifications

PubChem CID	7668
CAS	103-65-1
Molecular Weight (g/mol)	120.20
ChEBI	CHEBI:42630
MDL Number	MFCD00009377
SMILES	CCCC1=CC=CC=C1
Synonym	n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n
IUPAC Name	propylbenzene
InChI Key	ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular Formula	C9H12

5,042

3-Propyltoluene 99.0+%, TCI America™

CAS: 1074-43-7 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00059247 InChI Key: QUEBYVKXYIKVSO-UHFFFAOYSA-N Synonym: 1-Methyl-3-propylbenzene PubChem CID: 14092 IUPAC Name: 1-methyl-3-propylbenzene SMILES: CCCC1=CC=CC(C)=C1

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Specifications

PubChem CID	14092
CAS	1074-43-7
Molecular Weight (g/mol)	134.22
MDL Number	MFCD00059247
SMILES	CCCC1=CC=CC(C)=C1
Synonym	1-Methyl-3-propylbenzene
IUPAC Name	1-methyl-3-propylbenzene
InChI Key	QUEBYVKXYIKVSO-UHFFFAOYSA-N
Molecular Formula	C10H14

5,043

Xylometazoline Hydrochloride 98.0+%, TCI America™

CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 MDL Number: MFCD00238707 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N Synonym: xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride PubChem CID: 5282386 IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl

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Specifications

PubChem CID	5282386
CAS	1218-35-5
Molecular Weight (g/mol)	280.84
MDL Number	MFCD00238707
SMILES	CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
Synonym	xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride
IUPAC Name	2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI Key	YGWFCQYETHJKNX-UHFFFAOYSA-N
Molecular Formula	C16H25ClN2

5,044

2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] 98.0+%, TCI America™

CAS: 41484-35-9 Molecular Formula: C38H58O6S Molecular Weight (g/mol): 642.94 MDL Number: MFCD00059346 InChI Key: VFBJXXJYHWLXRM-UHFFFAOYSA-N PubChem CID: 64883 IUPAC Name: 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate SMILES: CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

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Specifications

PubChem CID	64883
CAS	41484-35-9
Molecular Weight (g/mol)	642.94
MDL Number	MFCD00059346
SMILES	CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
IUPAC Name	2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
InChI Key	VFBJXXJYHWLXRM-UHFFFAOYSA-N
Molecular Formula	C38H58O6S

5,045

(S)-(-)-1-Phenyl-1-propanol 98.0+%, TCI America™

CAS: 613-87-6 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00066207 InChI Key: DYUQAZSOFZSPHD-UHFFFAOYNA-N Synonym: s---1-phenyl-1-propanol,s-1-phenylpropan-1-ol,1s-1-phenylpropan-1-ol,s-1-phenyl-1-propanol,s---1-phenylpropanol,s-1-phenyl-propan-1-ol,s---,a-ethylbenzyl alcohol,--s-1-phenyl-1-propanol;,s---alpha-ethylbenzyl alcohol PubChem CID: 2734864 IUPAC Name: 1-phenylpropan-1-ol SMILES: CCC(O)C1=CC=CC=C1

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Specifications

PubChem CID	2734864
CAS	613-87-6
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00066207
SMILES	CCC(O)C1=CC=CC=C1
Synonym	s---1-phenyl-1-propanol,s-1-phenylpropan-1-ol,1s-1-phenylpropan-1-ol,s-1-phenyl-1-propanol,s---1-phenylpropanol,s-1-phenyl-propan-1-ol,s---,a-ethylbenzyl alcohol,--s-1-phenyl-1-propanol;,s---alpha-ethylbenzyl alcohol
IUPAC Name	1-phenylpropan-1-ol
InChI Key	DYUQAZSOFZSPHD-UHFFFAOYNA-N
Molecular Formula	C9H12O

5,046

2-Phenyl-2-propanol 98.0+%, TCI America™

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

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Specifications

PubChem CID	12053
CAS	617-94-7
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004456
SMILES	CC(C)(O)C1=CC=CC=C1
Synonym	2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name	2-phenylpropan-2-ol
InChI Key	BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula	C9H12O

5,047

4-tert-Octylresorcinol 99.0+%, TCI America™

CAS: 28122-52-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00045770 InChI Key: YQOJNENEFSZINP-UHFFFAOYSA-N Synonym: 4-tert-octylresorcinol,4-1,1,3,3-tetramethylbutyl benzene-1,3-diol,p-tert-octylresorcinol,4-2,4,4-trimethylpentan-2-yl benzene-1,3-diol,4-t-octyl resorcinol,acmc-209h0z,4-1,1,3,3-tetramethylbutyl resorcinol,1,3-benzenediol,4-1,1,3,3-tetramethylbutyl,4-1,1,3,3-tetramethylbutyl-1,3-benzenediol,1,3-benzenediol, 4-1,1,3,3-tetramethylbutyl PubChem CID: 220749 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1O

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Specifications

PubChem CID	220749
CAS	28122-52-3
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00045770
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1O
Synonym	4-tert-octylresorcinol,4-1,1,3,3-tetramethylbutyl benzene-1,3-diol,p-tert-octylresorcinol,4-2,4,4-trimethylpentan-2-yl benzene-1,3-diol,4-t-octyl resorcinol,acmc-209h0z,4-1,1,3,3-tetramethylbutyl resorcinol,1,3-benzenediol,4-1,1,3,3-tetramethylbutyl,4-1,1,3,3-tetramethylbutyl-1,3-benzenediol,1,3-benzenediol, 4-1,1,3,3-tetramethylbutyl
IUPAC Name	4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol
InChI Key	YQOJNENEFSZINP-UHFFFAOYSA-N
Molecular Formula	C14H22O2

5,048

2-Propyltoluene 98.0+%, TCI America™

CAS: 1074-17-5 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00059246 InChI Key: YQZBFMJOASEONC-UHFFFAOYSA-N Synonym: 1-Methyl-2-propylbenzene PubChem CID: 14091 IUPAC Name: 1-methyl-2-propylbenzene SMILES: CCCC1=CC=CC=C1C

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PubChem CID	14091
CAS	1074-17-5
Molecular Weight (g/mol)	134.222
MDL Number	MFCD00059246
SMILES	CCCC1=CC=CC=C1C
Synonym	1-Methyl-2-propylbenzene
IUPAC Name	1-methyl-2-propylbenzene
InChI Key	YQZBFMJOASEONC-UHFFFAOYSA-N
Molecular Formula	C10H14

5,049

2-Propylphenol 98.0+%, TCI America™

CAS: 644-35-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002251 InChI Key: LCHYEKKJCUJAKN-UHFFFAOYSA-N Synonym: 2-n-propylphenol,o-propylphenol,phenol, 2-propyl,phenol, o-propyl,1-hydroxy-2-n-propylbenzene,1-2-hydroxyphenyl propane,propylphenol,2-propyl-phenol,o-n-propylphenol,unii-333r6f6t3n PubChem CID: 12570 IUPAC Name: 2-propylphenol SMILES: CCCC1=CC=CC=C1O

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Specifications

PubChem CID	12570
CAS	644-35-9
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00002251
SMILES	CCCC1=CC=CC=C1O
Synonym	2-n-propylphenol,o-propylphenol,phenol, 2-propyl,phenol, o-propyl,1-hydroxy-2-n-propylbenzene,1-2-hydroxyphenyl propane,propylphenol,2-propyl-phenol,o-n-propylphenol,unii-333r6f6t3n
IUPAC Name	2-propylphenol
InChI Key	LCHYEKKJCUJAKN-UHFFFAOYSA-N
Molecular Formula	C9H12O

5,050

Valethamate Bromide 98.0+%, TCI America™

CAS: 90-22-2 Molecular Formula: C19H32BrNO2 Molecular Weight (g/mol): 386.37 MDL Number: MFCD00031617 InChI Key: CEJGGHKJHDHLAZ-UHFFFAOYNA-M Synonym: valethamate bromide,ediposin,epidosin,epidozin,resitan,murel,valethamate bromide jan,n,n-diethyl-n-methyl-2-3-methyl-2-phenylpentanoyl oxy ethanaminium bromide,diethyl methyl 2-3-methyl-2-phenylvaleryloxy ethyl ammonium bromide,2-diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide PubChem CID: 7010 IUPAC Name: diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide SMILES: [Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1

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Specifications

PubChem CID	7010
CAS	90-22-2
Molecular Weight (g/mol)	386.37
MDL Number	MFCD00031617
SMILES	[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1
Synonym	valethamate bromide,ediposin,epidosin,epidozin,resitan,murel,valethamate bromide jan,n,n-diethyl-n-methyl-2-3-methyl-2-phenylpentanoyl oxy ethanaminium bromide,diethyl methyl 2-3-methyl-2-phenylvaleryloxy ethyl ammonium bromide,2-diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide
IUPAC Name	diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium bromide
InChI Key	CEJGGHKJHDHLAZ-UHFFFAOYNA-M
Molecular Formula	C19H32BrNO2

5,051

2-Phenylbutyryl Chloride 97.0+%, TCI America™

CAS: 36854-57-6 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.647 MDL Number: MFCD00018811 InChI Key: QGXMHCMPIAYMGT-UHFFFAOYSA-N Synonym: 2-phenylbutyryl chloride,2-ethyl-2-phenylacetyl chloride,2-phenylbutyrylchloride,butyryl chloride, 2-phenyl,acmc-209ipa,2-phenyl butyryl chloride,2-phenyl-butyryl chloride,2-phenyl-mutanoyl chloride,.alpha.-phenylbutyryl chloride,2-phenyl-2-ethylacetyl chloride PubChem CID: 98173 IUPAC Name: 2-phenylbutanoyl chloride SMILES: CCC(C1=CC=CC=C1)C(=O)Cl

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Specifications

PubChem CID	98173
CAS	36854-57-6
Molecular Weight (g/mol)	182.647
MDL Number	MFCD00018811
SMILES	CCC(C1=CC=CC=C1)C(=O)Cl
Synonym	2-phenylbutyryl chloride,2-ethyl-2-phenylacetyl chloride,2-phenylbutyrylchloride,butyryl chloride, 2-phenyl,acmc-209ipa,2-phenyl butyryl chloride,2-phenyl-butyryl chloride,2-phenyl-mutanoyl chloride,.alpha.-phenylbutyryl chloride,2-phenyl-2-ethylacetyl chloride
IUPAC Name	2-phenylbutanoyl chloride
InChI Key	QGXMHCMPIAYMGT-UHFFFAOYSA-N
Molecular Formula	C10H11ClO

5,052

2-Propylaniline 98.0+%, TCI America™

CAS: 1821-39-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00009803 InChI Key: WKURVXXDGMYSDP-UHFFFAOYSA-N PubChem CID: 15759 IUPAC Name: 2-propylaniline SMILES: CCCC1=CC=CC=C1N

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Specifications

PubChem CID	15759
CAS	1821-39-2
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00009803
SMILES	CCCC1=CC=CC=C1N
IUPAC Name	2-propylaniline
InChI Key	WKURVXXDGMYSDP-UHFFFAOYSA-N
Molecular Formula	C9H13N

5,053

1-Methyl 2-Aminoterephthalate 98.0+%, TCI America™

CAS: 60728-41-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00189374 InChI Key: QKOKLMFCKLEFDV-UHFFFAOYSA-N Synonym: 3-Amino-4-carbomethoxybenzoic Acid, 3-Amino-4-methoxycarbonylbenzoic Acid, 2-Aminoterephthalic Acid 1-Methyl Ester PubChem CID: 5235500 IUPAC Name: 3-amino-4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=C(C=C(C=C1)C(=O)O)N

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Specifications

PubChem CID	5235500
CAS	60728-41-8
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00189374
SMILES	COC(=O)C1=C(C=C(C=C1)C(=O)O)N
Synonym	3-Amino-4-carbomethoxybenzoic Acid, 3-Amino-4-methoxycarbonylbenzoic Acid, 2-Aminoterephthalic Acid 1-Methyl Ester
IUPAC Name	3-amino-4-methoxycarbonylbenzoic acid
InChI Key	QKOKLMFCKLEFDV-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

5,054

2,2'-Dihydroxybenzophenone 99.0+%, TCI America™

CAS: 835-11-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002217 InChI Key: YIYBRXKMQFDHSM-UHFFFAOYSA-N PubChem CID: 70038 ChEBI: CHEBI:34209 IUPAC Name: bis(2-hydroxyphenyl)methanone SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2O)O

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Specifications

PubChem CID	70038
CAS	835-11-0
Molecular Weight (g/mol)	214.22
ChEBI	CHEBI:34209
MDL Number	MFCD00002217
SMILES	C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2O)O
IUPAC Name	bis(2-hydroxyphenyl)methanone
InChI Key	YIYBRXKMQFDHSM-UHFFFAOYSA-N
Molecular Formula	C13H10O3

5,055

4-Chlorostyrene (stabilized with TBC) 98.0+%, TCI America™

CAS: 1073-67-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.59 MDL Number: MFCD00000632 InChI Key: KTZVZZJJVJQZHV-UHFFFAOYSA-N Synonym: 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene PubChem CID: 14085 IUPAC Name: 1-chloro-4-ethenylbenzene SMILES: ClC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	14085
CAS	1073-67-2
Molecular Weight (g/mol)	138.59
MDL Number	MFCD00000632
SMILES	ClC1=CC=C(C=C)C=C1
Synonym	4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene
IUPAC Name	1-chloro-4-ethenylbenzene
InChI Key	KTZVZZJJVJQZHV-UHFFFAOYSA-N
Molecular Formula	C8H7Cl

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