Benzene and substituted derivatives
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2,4,6-Tri-tert-butylnitrobenzene 95.0+%, TCI America™
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 |
2-Fluoro-4-iodoaniline 98.0+%, TCI America™
CAS: 29632-74-4 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.016 MDL Number: MFCD00011738 InChI Key: CUMTUBVTKOYYOU-UHFFFAOYSA-N Synonym: 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline PubChem CID: 185694 IUPAC Name: 2-fluoro-4-iodoaniline SMILES: C1=CC(=C(C=C1I)F)N
| PubChem CID | 185694 |
|---|---|
| CAS | 29632-74-4 |
| Molecular Weight (g/mol) | 237.016 |
| MDL Number | MFCD00011738 |
| SMILES | C1=CC(=C(C=C1I)F)N |
| Synonym | 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline |
| IUPAC Name | 2-fluoro-4-iodoaniline |
| InChI Key | CUMTUBVTKOYYOU-UHFFFAOYSA-N |
| Molecular Formula | C6H5FIN |
[RuCl(p-cymene)((S)-dm-segphos(regR))]Cl, TCI America™
CAS: 944451-31-4 Molecular Formula: C56H58Cl2O4P2Ru+ Molecular Weight (g/mol): 1028.994 MDL Number: MFCD09753018 InChI Key: HXGKHUFSYGQNDT-UHFFFAOYSA-L Synonym: Chloro[(S)-(-)-5,5′C-bis[di(3,5-xylyl)phosphino]-4,4′C-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride PubChem CID: 91972170 IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.[Cl-].[Cl-].[Ru+3]
| PubChem CID | 91972170 |
|---|---|
| CAS | 944451-31-4 |
| Molecular Weight (g/mol) | 1028.994 |
| MDL Number | MFCD09753018 |
| SMILES | CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.[Cl-].[Cl-].[Ru+3] |
| Synonym | Chloro[(S)-(-)-5,5′C-bis[di(3,5-xylyl)phosphino]-4,4′C-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride |
| InChI Key | HXGKHUFSYGQNDT-UHFFFAOYSA-L |
| Molecular Formula | C56H58Cl2O4P2Ru+ |
4-(1,1,2,2-Tetrafluoroethoxy)benzoic Acid 98.0+%, TCI America™
CAS: 10009-25-3 Molecular Formula: C9H6F4O3 Molecular Weight (g/mol): 238.14 MDL Number: MFCD00155926 InChI Key: SVGWTILJZWYEMD-UHFFFAOYSA-N PubChem CID: 2776639 IUPAC Name: 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OC(F)(F)C(F)F)C=C1
| PubChem CID | 2776639 |
|---|---|
| CAS | 10009-25-3 |
| Molecular Weight (g/mol) | 238.14 |
| MDL Number | MFCD00155926 |
| SMILES | OC(=O)C1=CC=C(OC(F)(F)C(F)F)C=C1 |
| IUPAC Name | 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid |
| InChI Key | SVGWTILJZWYEMD-UHFFFAOYSA-N |
| Molecular Formula | C9H6F4O3 |
Bis(3-bromophenyl)acetylene 97.0+%, TCI America™
CAS: 153404-60-5 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD11111154 InChI Key: WSXUXTVJTIPBAF-UHFFFAOYSA-N PubChem CID: 12022272 IUPAC Name: 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1
| PubChem CID | 12022272 |
|---|---|
| CAS | 153404-60-5 |
| Molecular Weight (g/mol) | 336.03 |
| MDL Number | MFCD11111154 |
| SMILES | BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1 |
| IUPAC Name | 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene |
| InChI Key | WSXUXTVJTIPBAF-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2 |
| PubChem CID | 285645 |
|---|---|
| CAS | 1765-93-1 |
| Molecular Weight (g/mol) | 139.92 |
| ChEBI | CHEBI:48661 |
| MDL Number | MFCD00039136 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (4-fluorophenyl)boronic acid |
| InChI Key | LBUNNMJLXWQQBY-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 265°C |
4-Bromo-2-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 320-31-0 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD07787468 InChI Key: JXHWAPDBDXPBEQ-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride PubChem CID: 25067392 IUPAC Name: 4-bromo-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F
| PubChem CID | 25067392 |
|---|---|
| CAS | 320-31-0 |
| Molecular Weight (g/mol) | 269.02 |
| MDL Number | MFCD07787468 |
| SMILES | OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F |
| Synonym | 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)benzoic acid |
| InChI Key | JXHWAPDBDXPBEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O2 |
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™
CAS: 127852-28-2 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 PubChem CID: 2779031 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2779031 |
|---|---|
| CAS | 127852-28-2 |
| Molecular Weight (g/mol) | 258.16 |
| MDL Number | MFCD03093010 |
| SMILES | CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol |
| InChI Key | MMSCIQKQJVBPIR-UHFFFAOYNA-N |
| Molecular Formula | C10H8F6O |
2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine 97.0+%, TCI America™
CAS: 761440-16-8 Molecular Formula: C13H13Cl2N3O2S Molecular Weight (g/mol): 346.23 MDL Number: MFCD12827956 InChI Key: WWVLDJAVSQZSKO-UHFFFAOYSA-N PubChem CID: 59764378 IUPAC Name: 2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(Cl)=NC=C1Cl
| PubChem CID | 59764378 |
|---|---|
| CAS | 761440-16-8 |
| Molecular Weight (g/mol) | 346.23 |
| MDL Number | MFCD12827956 |
| SMILES | CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(Cl)=NC=C1Cl |
| IUPAC Name | 2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine |
| InChI Key | WWVLDJAVSQZSKO-UHFFFAOYSA-N |
| Molecular Formula | C13H13Cl2N3O2S |
4-Chlorobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
CAS: 2403-61-4 Molecular Formula: C11H15ClO2 Molecular Weight (g/mol): 214.69 MDL Number: MFCD08276331 InChI Key: GPLBEXMSGZWIPD-UHFFFAOYSA-N Synonym: 1-Chloro-4-(diethoxymethyl)benzene PubChem CID: 326160 IUPAC Name: 1-chloro-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Cl)C=C1
| PubChem CID | 326160 |
|---|---|
| CAS | 2403-61-4 |
| Molecular Weight (g/mol) | 214.69 |
| MDL Number | MFCD08276331 |
| SMILES | CCOC(OCC)C1=CC=C(Cl)C=C1 |
| Synonym | 1-Chloro-4-(diethoxymethyl)benzene |
| IUPAC Name | 1-chloro-4-(diethoxymethyl)benzene |
| InChI Key | GPLBEXMSGZWIPD-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClO2 |
2,4-Dichlorobenzyl Alcohol 97.0+%, TCI America™
CAS: 1777-82-8 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004606 InChI Key: DBHODFSFBXJZNY-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl alcohol,2,4-dichlorophenyl methanol,dybenal,2,4-dichlorobenzenemethanol,rapidosept,myacide sp,benzenemethanol, 2,4-dichloro,benzyl alcohol, 2,4-dichloro,unii-1nkx3648j9,2,4-dichlorobenzylalcohol PubChem CID: 15684 ChEBI: CHEBI:48220 IUPAC Name: (2,4-dichlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)Cl)CO
| PubChem CID | 15684 |
|---|---|
| CAS | 1777-82-8 |
| Molecular Weight (g/mol) | 177.024 |
| ChEBI | CHEBI:48220 |
| MDL Number | MFCD00004606 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)CO |
| Synonym | 2,4-dichlorobenzyl alcohol,2,4-dichlorophenyl methanol,dybenal,2,4-dichlorobenzenemethanol,rapidosept,myacide sp,benzenemethanol, 2,4-dichloro,benzyl alcohol, 2,4-dichloro,unii-1nkx3648j9,2,4-dichlorobenzylalcohol |
| IUPAC Name | (2,4-dichlorophenyl)methanol |
| InChI Key | DBHODFSFBXJZNY-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
| Molecular Weight (g/mol) | 179.966 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C(=CC=C1)C=O)OC)(O)O |
| InChI Key | DUROSIJIMLRFHR-UHFFFAOYSA-N |
| PubChem CID | 16218167 |
| CAS | 480424-49-5 |
| MDL Number | MFCD08689486 |
| TSCA | No |
| Recommended Storage | Refrigerator |
| IUPAC Name | (3-formyl-2-methoxyphenyl)boronic acid |
| Molecular Formula | C8H9BO4 |
| Formula Weight | 179.97 |
| Melting Point | 128°C |
Methyl 3-Amino-5-bromo-2-methylbenzoate 98.0+%, TCI America™
CAS: 1000342-11-9 Molecular Formula: C9H10BrNO2 Molecular Weight (g/mol): 244.09 MDL Number: MFCD08690071 InChI Key: NMLOSXSDLWFBKT-UHFFFAOYSA-N Synonym: 3-Amino-5-bromo-2-methylbenzoic Acid Methyl Ester PubChem CID: 24729181 IUPAC Name: methyl 3-amino-5-bromo-2-methylbenzoate SMILES: COC(=O)C1=CC(Br)=CC(N)=C1C
| PubChem CID | 24729181 |
|---|---|
| CAS | 1000342-11-9 |
| Molecular Weight (g/mol) | 244.09 |
| MDL Number | MFCD08690071 |
| SMILES | COC(=O)C1=CC(Br)=CC(N)=C1C |
| Synonym | 3-Amino-5-bromo-2-methylbenzoic Acid Methyl Ester |
| IUPAC Name | methyl 3-amino-5-bromo-2-methylbenzoate |
| InChI Key | NMLOSXSDLWFBKT-UHFFFAOYSA-N |
| Molecular Formula | C9H10BrNO2 |
alpha-Bromo-m-xylene 90.0+%, TCI America™
CAS: 620-13-3 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000177 InChI Key: FWLWTILKTABGKQ-UHFFFAOYSA-N Synonym: 3-methylbenzyl bromide,1-bromomethyl-3-methylbenzene,alpha-bromo-m-xylene,m-methylbenzyl bromide,m-xylyl bromide,benzene, 1-bromomethyl-3-methyl,3-bromomethyl toluene,m-xylene, .alpha.-bromo,3-methylbenzylbromide,m-xylene, alpha-bromo PubChem CID: 12099 IUPAC Name: 1-(bromomethyl)-3-methylbenzene SMILES: CC1=CC(=CC=C1)CBr
| PubChem CID | 12099 |
|---|---|
| CAS | 620-13-3 |
| Molecular Weight (g/mol) | 185.064 |
| MDL Number | MFCD00000177 |
| SMILES | CC1=CC(=CC=C1)CBr |
| Synonym | 3-methylbenzyl bromide,1-bromomethyl-3-methylbenzene,alpha-bromo-m-xylene,m-methylbenzyl bromide,m-xylyl bromide,benzene, 1-bromomethyl-3-methyl,3-bromomethyl toluene,m-xylene, .alpha.-bromo,3-methylbenzylbromide,m-xylene, alpha-bromo |
| IUPAC Name | 1-(bromomethyl)-3-methylbenzene |
| InChI Key | FWLWTILKTABGKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H9Br |
Pendimethalin 98.0+%, TCI America™
CAS: 40487-42-1 Molecular Formula: C13H19N3O4 Molecular Weight (g/mol): 281.312 MDL Number: MFCD00055332 InChI Key: CHIFOSRWCNZCFN-UHFFFAOYSA-N Synonym: pendimethalin,pendimethaline,penoxaline,prowl,herbadox,penoxalin,phenoxalin,accotab,stomp,way up PubChem CID: 38479 ChEBI: CHEBI:83569 IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
| PubChem CID | 38479 |
|---|---|
| CAS | 40487-42-1 |
| Molecular Weight (g/mol) | 281.312 |
| ChEBI | CHEBI:83569 |
| MDL Number | MFCD00055332 |
| SMILES | CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-] |
| Synonym | pendimethalin,pendimethaline,penoxaline,prowl,herbadox,penoxalin,phenoxalin,accotab,stomp,way up |
| IUPAC Name | 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline |
| InChI Key | CHIFOSRWCNZCFN-UHFFFAOYSA-N |
| Molecular Formula | C13H19N3O4 |