Benzene and substituted derivatives
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trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one 98.0+%, TCI America™
CAS: 103836-71-1 Molecular Formula: C19H12F6O Molecular Weight (g/mol): 370.294 InChI Key: OIUBVYQZMUKRRF-YDWXAUTNSA-N Synonym: trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone PubChem CID: 5373276 IUPAC Name: (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
| PubChem CID | 5373276 |
|---|---|
| CAS | 103836-71-1 |
| Molecular Weight (g/mol) | 370.294 |
| SMILES | C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F |
| Synonym | trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone |
| IUPAC Name | (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one |
| InChI Key | OIUBVYQZMUKRRF-YDWXAUTNSA-N |
| Molecular Formula | C19H12F6O |
3-Chloro-4-iodobenzotrifluoride (stabilized with Copper chip) 97.0+%, TCI America™
CAS: 141738-80-9 Molecular Formula: C7H3ClF3I Molecular Weight (g/mol): 306.45 MDL Number: MFCD00042562 InChI Key: ULJRBVGSKAKZKQ-UHFFFAOYSA-N Synonym: 3-chloro-4-iodobenzotrifluoride,2-chloro-1-iodo-4-trifluoromethyl benzene,2-chloro-4-trifluoromethyl iodobenzene,benzene, 2-chloro-1-iodo-4-trifluoromethyl,pubchem1973,acmc-209cms,buttpark 9857-21,2-chloro-4-trifluoromethyliodobenzene PubChem CID: 2736612 IUPAC Name: 2-chloro-1-iodo-4-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(I)C(Cl)=C1
| PubChem CID | 2736612 |
|---|---|
| CAS | 141738-80-9 |
| Molecular Weight (g/mol) | 306.45 |
| MDL Number | MFCD00042562 |
| SMILES | FC(F)(F)C1=CC=C(I)C(Cl)=C1 |
| Synonym | 3-chloro-4-iodobenzotrifluoride,2-chloro-1-iodo-4-trifluoromethyl benzene,2-chloro-4-trifluoromethyl iodobenzene,benzene, 2-chloro-1-iodo-4-trifluoromethyl,pubchem1973,acmc-209cms,buttpark 9857-21,2-chloro-4-trifluoromethyliodobenzene |
| IUPAC Name | 2-chloro-1-iodo-4-(trifluoromethyl)benzene |
| InChI Key | ULJRBVGSKAKZKQ-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF3I |
3,5-Bis(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.119 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
| PubChem CID | 2733314 |
|---|---|
| CAS | 16588-74-2 |
| Molecular Weight (g/mol) | 255.119 |
| MDL Number | MFCD00013559 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate |
| IUPAC Name | 1-isocyanato-3,5-bis(trifluoromethyl)benzene |
| InChI Key | NRSSOFNMWSJECS-UHFFFAOYSA-N |
| Molecular Formula | C9H3F6NO |
4-Bromo-3-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 1735-53-1 Molecular Formula: C8H3BrF3N Molecular Weight (g/mol): 250.018 MDL Number: MFCD03095347 InChI Key: KSXUIQQDHHFSRN-UHFFFAOYSA-N Synonym: 4-bromo-3-trifluoromethyl benzonitrile,3-trifluoromethyl-4-bromobenzonitrile,2-bromo-5-cyanobenzotrifluoride,3-trifluoromethyl-4-bromo benzonitrile,benzonitrile, 4-bromo-3-trifluoromethyl,4-bromo-3-trifluoromethyl benzenecarbonitrile,4-bromo-3-trifluoromethyl-benzonitrile,pubchem1576,intermediates-zcf02288,acmc-209e6z PubChem CID: 10800647 IUPAC Name: 4-bromo-3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)Br
| PubChem CID | 10800647 |
|---|---|
| CAS | 1735-53-1 |
| Molecular Weight (g/mol) | 250.018 |
| MDL Number | MFCD03095347 |
| SMILES | C1=CC(=C(C=C1C#N)C(F)(F)F)Br |
| Synonym | 4-bromo-3-trifluoromethyl benzonitrile,3-trifluoromethyl-4-bromobenzonitrile,2-bromo-5-cyanobenzotrifluoride,3-trifluoromethyl-4-bromo benzonitrile,benzonitrile, 4-bromo-3-trifluoromethyl,4-bromo-3-trifluoromethyl benzenecarbonitrile,4-bromo-3-trifluoromethyl-benzonitrile,pubchem1576,intermediates-zcf02288,acmc-209e6z |
| IUPAC Name | 4-bromo-3-(trifluoromethyl)benzonitrile |
| InChI Key | KSXUIQQDHHFSRN-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrF3N |
2,5-Dimethylterephthalic Acid 97.0+%, TCI America™
CAS: 6051-66-7 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00020292 InChI Key: FKUJGZJNDUGCFU-UHFFFAOYSA-N PubChem CID: 299989 IUPAC Name: 2,5-dimethylterephthalic acid SMILES: CC1=CC(=C(C=C1C(=O)O)C)C(=O)O
| PubChem CID | 299989 |
|---|---|
| CAS | 6051-66-7 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00020292 |
| SMILES | CC1=CC(=C(C=C1C(=O)O)C)C(=O)O |
| IUPAC Name | 2,5-dimethylterephthalic acid |
| InChI Key | FKUJGZJNDUGCFU-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
3,5-Dimethoxybenzyl Bromide 97.0+%, TCI America™
CAS: 877-88-3 Molecular Formula: C9H11BrO2 Molecular Weight (g/mol): 231.089 MDL Number: MFCD01321368 InChI Key: BTHIGJGJAPYFSJ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl bromide,1-bromomethyl-3,5-dimethoxybenzene,3,5-dimethoxybenzylbromide,benzene, 1-bromomethyl-3,5-dimethoxy,3,5-dimethoxy benzyl bromide,alpha-bromo-3,5-dimethoxytoluene,5-bromomethyl-1,3-dimethoxybenzene,5-bromomethyl resorcinol dimethyl ether,pubchem13588,acmc-209qq1 PubChem CID: 1274490 IUPAC Name: 1-(bromomethyl)-3,5-dimethoxybenzene SMILES: COC1=CC(=CC(=C1)CBr)OC
| PubChem CID | 1274490 |
|---|---|
| CAS | 877-88-3 |
| Molecular Weight (g/mol) | 231.089 |
| MDL Number | MFCD01321368 |
| SMILES | COC1=CC(=CC(=C1)CBr)OC |
| Synonym | 3,5-dimethoxybenzyl bromide,1-bromomethyl-3,5-dimethoxybenzene,3,5-dimethoxybenzylbromide,benzene, 1-bromomethyl-3,5-dimethoxy,3,5-dimethoxy benzyl bromide,alpha-bromo-3,5-dimethoxytoluene,5-bromomethyl-1,3-dimethoxybenzene,5-bromomethyl resorcinol dimethyl ether,pubchem13588,acmc-209qq1 |
| IUPAC Name | 1-(bromomethyl)-3,5-dimethoxybenzene |
| InChI Key | BTHIGJGJAPYFSJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO2 |
3,5-Di-tert-butylbenzyl Bromide 98.0+%, TCI America™
CAS: 62938-08-3 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.25 MDL Number: MFCD03701623 InChI Key: SNRYBGHMHAJTTM-UHFFFAOYSA-N Synonym: alpha-Bromo-3,5-di-tert-butyltoluene PubChem CID: 4447507 IUPAC Name: 1-(bromomethyl)-3,5-di-tert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC(CBr)=C1)C(C)(C)C
| PubChem CID | 4447507 |
|---|---|
| CAS | 62938-08-3 |
| Molecular Weight (g/mol) | 283.25 |
| MDL Number | MFCD03701623 |
| SMILES | CC(C)(C)C1=CC(=CC(CBr)=C1)C(C)(C)C |
| Synonym | alpha-Bromo-3,5-di-tert-butyltoluene |
| IUPAC Name | 1-(bromomethyl)-3,5-di-tert-butylbenzene |
| InChI Key | SNRYBGHMHAJTTM-UHFFFAOYSA-N |
| Molecular Formula | C15H23Br |
Benzyl Butyl Ether 95.0+%, TCI America™
CAS: 588-67-0 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00039954 InChI Key: MAYUYFCAPVDYBQ-UHFFFAOYSA-N Synonym: benzyl butyl ether,ether, benzyl butyl,butyl benzyl ether,benzyl n-butyl ether,benzene, butoxymethyl,butoxymethyl benzene,n-butyl benzyl ether,unii-8483x8zo8n,ether, benzyl n-butyl,butoxyphenylmethane PubChem CID: 61134 IUPAC Name: (butoxymethyl)benzene SMILES: CCCCOCC1=CC=CC=C1
| PubChem CID | 61134 |
|---|---|
| CAS | 588-67-0 |
| Molecular Weight (g/mol) | 164.25 |
| MDL Number | MFCD00039954 |
| SMILES | CCCCOCC1=CC=CC=C1 |
| Synonym | benzyl butyl ether,ether, benzyl butyl,butyl benzyl ether,benzyl n-butyl ether,benzene, butoxymethyl,butoxymethyl benzene,n-butyl benzyl ether,unii-8483x8zo8n,ether, benzyl n-butyl,butoxyphenylmethane |
| IUPAC Name | (butoxymethyl)benzene |
| InChI Key | MAYUYFCAPVDYBQ-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
2,2-Bis(4-hydroxyphenyl)propane 99.0+%, TCI America™
CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 6623 |
|---|---|
| CAS | 80-05-7 |
| Molecular Weight (g/mol) | 228.29 |
| ChEBI | CHEBI:33216 |
| MDL Number | MFCD00002366 |
| SMILES | CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol |
| InChI Key | IISBACLAFKSPIT-UHFFFAOYSA-N |
| Molecular Formula | C15H16O2 |
(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine 98.0+%, TCI America™
CAS: 74927-72-3 Molecular Formula: C15H10N3O7 Molecular Weight (g/mol): 344.26 MDL Number: MFCD00010134,MFCD00010134,MFCD00064470 InChI Key: MIVUDAUOXJDARR-CYBMUJFWSA-M PubChem CID: 126504 IUPAC Name: (2R)-2-[(3,5-dinitrophenyl)formamido]-2-phenylacetate SMILES: [O-]C(=O)[C@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1
| PubChem CID | 126504 |
|---|---|
| CAS | 74927-72-3 |
| Molecular Weight (g/mol) | 344.26 |
| MDL Number | MFCD00010134,MFCD00010134,MFCD00064470 |
| SMILES | [O-]C(=O)[C@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1 |
| IUPAC Name | (2R)-2-[(3,5-dinitrophenyl)formamido]-2-phenylacetate |
| InChI Key | MIVUDAUOXJDARR-CYBMUJFWSA-M |
| Molecular Formula | C15H10N3O7 |
Trimethobenzamide Hydrochloride 98.0+%, TCI America™
CAS: 554-92-7 Molecular Formula: C21H29ClN2O5 Molecular Weight (g/mol): 424.922 MDL Number: MFCD00057999 InChI Key: WIIZEEPFHXAUND-UHFFFAOYSA-N Synonym: N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4,5-trimethoxybenzamide Hydrochloride PubChem CID: 68385 IUPAC Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl
| PubChem CID | 68385 |
|---|---|
| CAS | 554-92-7 |
| Molecular Weight (g/mol) | 424.922 |
| MDL Number | MFCD00057999 |
| SMILES | CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl |
| Synonym | N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4,5-trimethoxybenzamide Hydrochloride |
| IUPAC Name | N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride |
| InChI Key | WIIZEEPFHXAUND-UHFFFAOYSA-N |
| Molecular Formula | C21H29ClN2O5 |
2-Amino-5-chlorobenzamide 98.0+%, TCI America™
CAS: 5202-85-7 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.596 MDL Number: MFCD00017126 InChI Key: DNRVZOZGQHHDAT-UHFFFAOYSA-N Synonym: 5-chloroanthranilamide,benzamide, 2-amino-5-chloro,2-amino-5-chloro-benzamide,5-chloro-2-aminobenzamide,2-azanyl-5-chloranyl-benzamide,pubchem13624,acmc-1axdu,3-14-00-00963 beilstein handbook reference,5mk PubChem CID: 78876 IUPAC Name: 2-amino-5-chlorobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)N
| PubChem CID | 78876 |
|---|---|
| CAS | 5202-85-7 |
| Molecular Weight (g/mol) | 170.596 |
| MDL Number | MFCD00017126 |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)N)N |
| Synonym | 5-chloroanthranilamide,benzamide, 2-amino-5-chloro,2-amino-5-chloro-benzamide,5-chloro-2-aminobenzamide,2-azanyl-5-chloranyl-benzamide,pubchem13624,acmc-1axdu,3-14-00-00963 beilstein handbook reference,5mk |
| IUPAC Name | 2-amino-5-chlorobenzamide |
| InChI Key | DNRVZOZGQHHDAT-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O |
Nalpha-Benzoyl-L-argininamide Hydrochloride Monohydrate 98.0+%, TCI America™
CAS: 4299-03-0 Molecular Formula: C13H20ClN5O2 Molecular Weight (g/mol): 313.786 MDL Number: MFCD00035003 InChI Key: PYZACNCNNFUUDO-PPHPATTJSA-N Synonym: s-n-1-amino-5-guanidino-1-oxopentan-2-yl benzamide hydrochloride,n-alpha-benzoyl-l-argininamide hydrochloride,2s-5-carbamimidamido-2-phenylformamido pentanamide hydrochloride,bz-arg-nh hcl,bz-arg-nh2 hcl,benzoyl-l-arginine amide hydrochloride,n-benzoyl-l-arginine amide hydrochloride,benzoyl-arginine amide monohydrochloride monihydrate,nalpha-benzoyl-l-argininamidehydrochloridemonohydrate,2s-5-diaminomethylidene amino-2-phenylformamido pentanamide hydrochloride PubChem CID: 22871352 IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.Cl
| PubChem CID | 22871352 |
|---|---|
| CAS | 4299-03-0 |
| Molecular Weight (g/mol) | 313.786 |
| MDL Number | MFCD00035003 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.Cl |
| Synonym | s-n-1-amino-5-guanidino-1-oxopentan-2-yl benzamide hydrochloride,n-alpha-benzoyl-l-argininamide hydrochloride,2s-5-carbamimidamido-2-phenylformamido pentanamide hydrochloride,bz-arg-nh hcl,bz-arg-nh2 hcl,benzoyl-l-arginine amide hydrochloride,n-benzoyl-l-arginine amide hydrochloride,benzoyl-arginine amide monohydrochloride monihydrate,nalpha-benzoyl-l-argininamidehydrochloridemonohydrate,2s-5-diaminomethylidene amino-2-phenylformamido pentanamide hydrochloride |
| IUPAC Name | N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride |
| InChI Key | PYZACNCNNFUUDO-PPHPATTJSA-N |
| Molecular Formula | C13H20ClN5O2 |
N-(p-Toluoyl)glycine 98.0+%, TCI America™
CAS: 27115-50-0 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00020449 InChI Key: NRSCPTLHWVWLLH-UHFFFAOYSA-N Synonym: 4-methylhippuric acid,n-4-methylbenzoyl glycine,p-toluric acid,p-methylhippuric acid,n-p-toluoyl glycine,glycine, n-4-methylbenzoyl,4-methyl hippuric acid,2-4-methylbenzamido acetic acid,unii-9qox0dsk6f,hippuric acid, p-methyl PubChem CID: 97479 ChEBI: CHEBI:68552 IUPAC Name: 2-[(4-methylbenzoyl)amino]acetic acid SMILES: CC1=CC=C(C=C1)C(=O)NCC(=O)O
| PubChem CID | 97479 |
|---|---|
| CAS | 27115-50-0 |
| Molecular Weight (g/mol) | 193.202 |
| ChEBI | CHEBI:68552 |
| MDL Number | MFCD00020449 |
| SMILES | CC1=CC=C(C=C1)C(=O)NCC(=O)O |
| Synonym | 4-methylhippuric acid,n-4-methylbenzoyl glycine,p-toluric acid,p-methylhippuric acid,n-p-toluoyl glycine,glycine, n-4-methylbenzoyl,4-methyl hippuric acid,2-4-methylbenzamido acetic acid,unii-9qox0dsk6f,hippuric acid, p-methyl |
| IUPAC Name | 2-[(4-methylbenzoyl)amino]acetic acid |
| InChI Key | NRSCPTLHWVWLLH-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
2-(Benzyloxy)ethanol 98.0+%, TCI America™
CAS: 622-08-2 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002868 InChI Key: CUZKCNWZBXLAJX-UHFFFAOYSA-N Synonym: 2-benzyloxy ethanol,2-benzyloxyethanol,ethanol, 2-phenylmethoxy,ethylene glycol monobenzyl ether,2-benzyloxy-1-ethanol,benzyl cellosolve,glycol benzyl ether,ethanol, 2-benzyloxy,glycol monobenzyl ether PubChem CID: 12141 IUPAC Name: 2-(benzyloxy)ethan-1-ol SMILES: OCCOCC1=CC=CC=C1
| PubChem CID | 12141 |
|---|---|
| CAS | 622-08-2 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002868 |
| SMILES | OCCOCC1=CC=CC=C1 |
| Synonym | 2-benzyloxy ethanol,2-benzyloxyethanol,ethanol, 2-phenylmethoxy,ethylene glycol monobenzyl ether,2-benzyloxy-1-ethanol,benzyl cellosolve,glycol benzyl ether,ethanol, 2-benzyloxy,glycol monobenzyl ether |
| IUPAC Name | 2-(benzyloxy)ethan-1-ol |
| InChI Key | CUZKCNWZBXLAJX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |