Benzenoids
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4-Dodecyloxyphthalonitrile 99.0+%, TCI America™
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CAS: 161082-75-3 Molecular Formula: C20H28N2O Molecular Weight (g/mol): 312.457 MDL Number: MFCD00191413 InChI Key: SWVGQFFVXRAJRQ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-dodecyloxybenzene PubChem CID: 44630254 IUPAC Name: 4-dodecoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N
| PubChem CID | 44630254 |
|---|---|
| CAS | 161082-75-3 |
| Molecular Weight (g/mol) | 312.457 |
| MDL Number | MFCD00191413 |
| SMILES | CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N |
| Synonym | 1,2-Dicyano-4-dodecyloxybenzene |
| IUPAC Name | 4-dodecoxybenzene-1,2-dicarbonitrile |
| InChI Key | SWVGQFFVXRAJRQ-UHFFFAOYSA-N |
| Molecular Formula | C20H28N2O |
3-(Trifluoromethyl)phenylacetonitrile 98.0+%, TCI America™
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CAS: 2338-76-3 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 MDL Number: MFCD00001913 InChI Key: JOIYKSLWXLFGGR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylacetonitrile,3-trifluoromethylbenzylcyanide,2-3-trifluoromethyl phenyl acetonitrile,benzeneacetonitrile, 3-trifluoromethyl,3-trifluoromethyl benzyl cyanide,m-trifluoromethylphenylacetonitrile,m-trifluoromethylbenzyl cyanide,3-trifluoromethylphenylacetonitrile,3-trifluormethylbenzylcyanide,3-trifluoromethyl benzeneacetonitrile PubChem CID: 75360 IUPAC Name: 2-[3-(trifluoromethyl)phenyl]acetonitrile SMILES: FC(F)(F)C1=CC=CC(CC#N)=C1
| PubChem CID | 75360 |
|---|---|
| CAS | 2338-76-3 |
| Molecular Weight (g/mol) | 185.15 |
| MDL Number | MFCD00001913 |
| SMILES | FC(F)(F)C1=CC=CC(CC#N)=C1 |
| Synonym | 3-trifluoromethyl phenylacetonitrile,3-trifluoromethylbenzylcyanide,2-3-trifluoromethyl phenyl acetonitrile,benzeneacetonitrile, 3-trifluoromethyl,3-trifluoromethyl benzyl cyanide,m-trifluoromethylphenylacetonitrile,m-trifluoromethylbenzyl cyanide,3-trifluoromethylphenylacetonitrile,3-trifluormethylbenzylcyanide,3-trifluoromethyl benzeneacetonitrile |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]acetonitrile |
| InChI Key | JOIYKSLWXLFGGR-UHFFFAOYSA-N |
| Molecular Formula | C9H6F3N |
(R)-(-)-1,2,3,4-Tetrahydro-1-naphthol 98.0+%, TCI America™
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CAS: 23357-45-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00063005 InChI Key: JAAJQSRLGAYGKZ-SNVBAGLBSA-N Synonym: (R)-(-)-alpha-Tetralol PubChem CID: 7058028 IUPAC Name: (1R)-1,2,3,4-tetrahydronaphthalen-1-ol SMILES: C1CC(C2=CC=CC=C2C1)O
| PubChem CID | 7058028 |
|---|---|
| CAS | 23357-45-1 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00063005 |
| SMILES | C1CC(C2=CC=CC=C2C1)O |
| Synonym | (R)-(-)-alpha-Tetralol |
| IUPAC Name | (1R)-1,2,3,4-tetrahydronaphthalen-1-ol |
| InChI Key | JAAJQSRLGAYGKZ-SNVBAGLBSA-N |
| Molecular Formula | C10H12O |
p-Toluenesulfonamide 98.0+%, TCI America™
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CAS: 70-55-3 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.214 MDL Number: MFCD00011692 InChI Key: LMYRWZFENFIFIT-UHFFFAOYSA-N Synonym: p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide PubChem CID: 6269 ChEBI: CHEBI:34435 IUPAC Name: 4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 6269 |
|---|---|
| CAS | 70-55-3 |
| Molecular Weight (g/mol) | 171.214 |
| ChEBI | CHEBI:34435 |
| MDL Number | MFCD00011692 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide |
| IUPAC Name | 4-methylbenzenesulfonamide |
| InChI Key | LMYRWZFENFIFIT-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
Bis(2-ethylhexyl) Phthalate 98.0+%, TCI America™
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CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
| PubChem CID | 8343 |
|---|---|
| CAS | 117-81-7 |
| Molecular Weight (g/mol) | 390.564 |
| ChEBI | CHEBI:17747 |
| MDL Number | MFCD00009493 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Synonym | dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil |
| IUPAC Name | bis(2-ethylhexyl) benzene-1,2-dicarboxylate |
| InChI Key | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
Diisobutyl Phthalate 98.0+%, TCI America™
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CAS: 84-69-5 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00026480 InChI Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N Synonym: diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate PubChem CID: 6782 ChEBI: CHEBI:79053 IUPAC Name: 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
| PubChem CID | 6782 |
|---|---|
| CAS | 84-69-5 |
| Molecular Weight (g/mol) | 278.35 |
| ChEBI | CHEBI:79053 |
| MDL Number | MFCD00026480 |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| Synonym | diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate |
| IUPAC Name | 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate |
| InChI Key | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| Molecular Formula | C16H22O4 |
(R)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 97.0+%, TCI America™
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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
| 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 |
3-Methoxyphenylacetonitrile 98.0+%, TCI America™
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CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N
| PubChem CID | 88310 |
|---|---|
| CAS | 19924-43-7 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00001910 |
| SMILES | COC1=CC=CC(=C1)CC#N |
| Synonym | 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile |
| IUPAC Name | 2-(3-methoxyphenyl)acetonitrile |
| InChI Key | LXKNAUOWEJWGTE-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
3-Hydroxy-2'-methoxy-2-naphthanilide 98.0+%, TCI America™
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CAS: 135-62-6 Molecular Formula: C18H14NNaO3 Molecular Weight (g/mol): 315.30 MDL Number: MFCD00021630 InChI Key: OXXQDUUQLWQUEX-UHFFFAOYSA-M Synonym: 2-Hydroxy-3-naphthoic Acid o-Anisidide, Naphthol AS-OL, 3-Hydroxy-N-(2-methoxyphenyl)-2-naphthamide, Azoic Coupling Component 20 PubChem CID: 67274 IUPAC Name: sodium 3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-olate SMILES: [Na+].COC1=CC=CC=C1NC(=O)C1=C([O-])C=C2C=CC=CC2=C1
| PubChem CID | 67274 |
|---|---|
| CAS | 135-62-6 |
| Molecular Weight (g/mol) | 315.30 |
| MDL Number | MFCD00021630 |
| SMILES | [Na+].COC1=CC=CC=C1NC(=O)C1=C([O-])C=C2C=CC=CC2=C1 |
| Synonym | 2-Hydroxy-3-naphthoic Acid o-Anisidide, Naphthol AS-OL, 3-Hydroxy-N-(2-methoxyphenyl)-2-naphthamide, Azoic Coupling Component 20 |
| IUPAC Name | sodium 3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-olate |
| InChI Key | OXXQDUUQLWQUEX-UHFFFAOYSA-M |
| Molecular Formula | C18H14NNaO3 |
3-Fluorobenzyl Alcohol 97.0+%, TCI America™
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CAS: 456-47-3 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00004631 InChI Key: QDHRSLFSDGCJFX-UHFFFAOYSA-N Synonym: 3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486 PubChem CID: 68008 IUPAC Name: (3-fluorophenyl)methanol SMILES: C1=CC(=CC(=C1)F)CO
| PubChem CID | 68008 |
|---|---|
| CAS | 456-47-3 |
| Molecular Weight (g/mol) | 126.13 |
| MDL Number | MFCD00004631 |
| SMILES | C1=CC(=CC(=C1)F)CO |
| Synonym | 3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486 |
| IUPAC Name | (3-fluorophenyl)methanol |
| InChI Key | QDHRSLFSDGCJFX-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO |
1-Bromo-2,4-dichlorobenzene 98.0+%, TCI America™
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CAS: 1193-72-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00018333 InChI Key: ISHYFWKKWKXXPL-UHFFFAOYSA-N Synonym: 2,4-dichlorobromobenzene,bromo 2--4-dichlorobenzene,1-bromo-2,4-dichloro-benzene,benzene, 1-bromo-2,4-dichloro,pubchem3608,2,4-dichlorobromobenze,2,4-dichloro-bromobenzene,acmc-209a2k,2,4-dichloro-1-bromobenzene,ksc490m9l PubChem CID: 70947 IUPAC Name: 1-bromo-2,4-dichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Br
| PubChem CID | 70947 |
|---|---|
| CAS | 1193-72-2 |
| Molecular Weight (g/mol) | 225.894 |
| MDL Number | MFCD00018333 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)Br |
| Synonym | 2,4-dichlorobromobenzene,bromo 2--4-dichlorobenzene,1-bromo-2,4-dichloro-benzene,benzene, 1-bromo-2,4-dichloro,pubchem3608,2,4-dichlorobromobenze,2,4-dichloro-bromobenzene,acmc-209a2k,2,4-dichloro-1-bromobenzene,ksc490m9l |
| IUPAC Name | 1-bromo-2,4-dichlorobenzene |
| InChI Key | ISHYFWKKWKXXPL-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
2,4,6-Tri-tert-butylnitrobenzene 95.0+%, TCI America™
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CAS: 4074-25-3 Molecular Formula: C18H29NO2 Molecular Weight (g/mol): 291.435 MDL Number: MFCD00008818 InChI Key: IMDZOFHRUMJNQR-UHFFFAOYSA-N Synonym: 2,4,6-tri-tert-butylnitrobenzene,2,4,6-tri-t-butylnitrobenzene,1,3,5-tri-tert-butyl-2-nitrobenzene,1,3,5-tri tert-butyl-2-nitrobenzene,2,4,6 tri-tert-butylnitrobenzene,2-nitro-1,3,5-tri-tert-butylbenzene,acmc-209jgh,1,3,5-tritert-butyl-2-nitro-benzene,2-nitro-1,3,5-tritert-butyl-benzene,2,4,6-tri-tert-butyl-1-nitrobenzene PubChem CID: 77691 IUPAC Name: 1,3,5-tritert-butyl-2-nitrobenzene SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C
| PubChem CID | 77691 |
|---|---|
| CAS | 4074-25-3 |
| Molecular Weight (g/mol) | 291.435 |
| MDL Number | MFCD00008818 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C |
| Synonym | 2,4,6-tri-tert-butylnitrobenzene,2,4,6-tri-t-butylnitrobenzene,1,3,5-tri-tert-butyl-2-nitrobenzene,1,3,5-tri tert-butyl-2-nitrobenzene,2,4,6 tri-tert-butylnitrobenzene,2-nitro-1,3,5-tri-tert-butylbenzene,acmc-209jgh,1,3,5-tritert-butyl-2-nitro-benzene,2-nitro-1,3,5-tritert-butyl-benzene,2,4,6-tri-tert-butyl-1-nitrobenzene |
| IUPAC Name | 1,3,5-tritert-butyl-2-nitrobenzene |
| InChI Key | IMDZOFHRUMJNQR-UHFFFAOYSA-N |
| Molecular Formula | C18H29NO2 |
3-Methoxybenzyl Chloride 96.0+%, TCI America™
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CAS: 824-98-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000907 InChI Key: VGISFWWEOGVMED-UHFFFAOYSA-N Synonym: 3-methoxybenzyl chloride,1-chloromethyl-3-methoxybenzene,m-methoxybenzyl chloride,m-chloromethyl anisole,benzene, 1-chloromethyl-3-methoxy,anisole, m-chloromethyl,3-methoxybenzylchloride,3-chloromethyl anisole,3-methoxy benzyl chloride,benzyl chloride,3-methoxy PubChem CID: 69994 IUPAC Name: 1-(chloromethyl)-3-methoxybenzene SMILES: COC1=CC=CC(CCl)=C1
| PubChem CID | 69994 |
|---|---|
| CAS | 824-98-6 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000907 |
| SMILES | COC1=CC=CC(CCl)=C1 |
| Synonym | 3-methoxybenzyl chloride,1-chloromethyl-3-methoxybenzene,m-methoxybenzyl chloride,m-chloromethyl anisole,benzene, 1-chloromethyl-3-methoxy,anisole, m-chloromethyl,3-methoxybenzylchloride,3-chloromethyl anisole,3-methoxy benzyl chloride,benzyl chloride,3-methoxy |
| IUPAC Name | 1-(chloromethyl)-3-methoxybenzene |
| InChI Key | VGISFWWEOGVMED-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
3,5-Bis(trifluoromethyl)benzenethiol 96.0+%, TCI America™
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CAS: 130783-02-7 Molecular Formula: C8H4F6S Molecular Weight (g/mol): 246.17 MDL Number: MFCD00042273 InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # PubChem CID: 518690 IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiol SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
| PubChem CID | 518690 |
|---|---|
| CAS | 130783-02-7 |
| Molecular Weight (g/mol) | 246.17 |
| MDL Number | MFCD00042273 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzenethiol |
| InChI Key | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6S |
2,2'-Bis(trifluoromethyl)benzidine 98.0+%, TCI America™
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CAS: 341-58-2 Molecular Formula: C14H10F6N2 Molecular Weight (g/mol): 320.24 MDL Number: MFCD00190155 InChI Key: NVKGJHAQGWCWDI-UHFFFAOYSA-N Synonym: 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline PubChem CID: 629349 IUPAC Name: 2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine SMILES: NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 629349 |
|---|---|
| CAS | 341-58-2 |
| Molecular Weight (g/mol) | 320.24 |
| MDL Number | MFCD00190155 |
| SMILES | NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline |
| IUPAC Name | 2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine |
| InChI Key | NVKGJHAQGWCWDI-UHFFFAOYSA-N |
| Molecular Formula | C14H10F6N2 |