Benzene and substituted derivatives
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Diallyl Isophthalate 98.0+%, TCI America™
CAS: 1087-21-4 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00048174 InChI Key: OOORLLSLMPBSPT-UHFFFAOYSA-N Synonym: Isophthalic Acid Diallyl Ester PubChem CID: 66183 IUPAC Name: bis(prop-2-enyl) benzene-1,3-dicarboxylate SMILES: C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C
| PubChem CID | 66183 |
|---|---|
| CAS | 1087-21-4 |
| Molecular Weight (g/mol) | 246.262 |
| MDL Number | MFCD00048174 |
| SMILES | C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C |
| Synonym | Isophthalic Acid Diallyl Ester |
| IUPAC Name | bis(prop-2-enyl) benzene-1,3-dicarboxylate |
| InChI Key | OOORLLSLMPBSPT-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
| PubChem CID | 4374262 |
|---|---|
| CAS | 87199-14-2 |
| MDL Number | MFCD02258966 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | [2-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | AFHOBSCDNXGFMO-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
| Formula Weight | 151.96 |
(S)-(+)-1-Benzyloxy-2-propanol 95.0+%, TCI America™
CAS: 85483-97-2 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD07367008 InChI Key: KJBPYIUAQLPHJG-VIFPVBQESA-N Synonym: s-+-1-benzyloxy-2-propanol,s-1-benzyloxy propan-2-ol,2s-1-benzyloxypropan-2-ol,2s-1-benzyloxy propan-2-ol,2-propanol, 1-phenylmethoxy-, 2s,2-propanol,1-phenylmethoxy-, 2s,s-1-o-benzylpropylene glycol,s-1-benzyloxy-2-hydroxypropane,2s-1-benzyloxy-2-propanol,+-s-1-benzyloxy-2-propanol PubChem CID: 13197475 IUPAC Name: (2S)-1-phenylmethoxypropan-2-ol SMILES: CC(COCC1=CC=CC=C1)O
| PubChem CID | 13197475 |
|---|---|
| CAS | 85483-97-2 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD07367008 |
| SMILES | CC(COCC1=CC=CC=C1)O |
| Synonym | s-+-1-benzyloxy-2-propanol,s-1-benzyloxy propan-2-ol,2s-1-benzyloxypropan-2-ol,2s-1-benzyloxy propan-2-ol,2-propanol, 1-phenylmethoxy-, 2s,2-propanol,1-phenylmethoxy-, 2s,s-1-o-benzylpropylene glycol,s-1-benzyloxy-2-hydroxypropane,2s-1-benzyloxy-2-propanol,+-s-1-benzyloxy-2-propanol |
| IUPAC Name | (2S)-1-phenylmethoxypropan-2-ol |
| InChI Key | KJBPYIUAQLPHJG-VIFPVBQESA-N |
| Molecular Formula | C10H14O2 |
Benzyl Glycidyl Ether 97.0+%, TCI America™
CAS: 2930-05-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00068664 InChI Key: QNYBOILAKBSWFG-UHFFFAOYNA-N Synonym: 1-Benzyloxy-2,3-epoxypropane, 2-(Benzyloxymethyl)oxirane PubChem CID: 94247 IUPAC Name: 2-(phenylmethoxymethyl)oxirane SMILES: C1C(O1)COCC2=CC=CC=C2
| PubChem CID | 94247 |
|---|---|
| CAS | 2930-05-4 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00068664 |
| SMILES | C1C(O1)COCC2=CC=CC=C2 |
| Synonym | 1-Benzyloxy-2,3-epoxypropane, 2-(Benzyloxymethyl)oxirane |
| IUPAC Name | 2-(phenylmethoxymethyl)oxirane |
| InChI Key | QNYBOILAKBSWFG-UHFFFAOYNA-N |
| Molecular Formula | C10H12O2 |
2,3,4,6-Tetrafluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 53001-70-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD03701105 InChI Key: BXLQTYVTBJQPPZ-UHFFFAOYSA-N PubChem CID: 17750859 IUPAC Name: (2,3,4,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C=C(F)C(F)=C1F
| PubChem CID | 17750859 |
|---|---|
| CAS | 53001-70-0 |
| Molecular Weight (g/mol) | 180.10 |
| MDL Number | MFCD03701105 |
| SMILES | OCC1=C(F)C=C(F)C(F)=C1F |
| IUPAC Name | (2,3,4,6-tetrafluorophenyl)methanol |
| InChI Key | BXLQTYVTBJQPPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
(-)-1,4-Di-O-benzyl-L-threitol 98.0+%, TCI America™
CAS: 17401-06-8 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00077723 InChI Key: YAVAVQDYJARRAU-UHFFFAOYNA-N Synonym: (-)-(2S,3S)-1,4-Bis(benzyloxy)-2,3-butanediol PubChem CID: 7018858 IUPAC Name: 1,4-bis(benzyloxy)butane-2,3-diol SMILES: OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1
| PubChem CID | 7018858 |
|---|---|
| CAS | 17401-06-8 |
| Molecular Weight (g/mol) | 302.37 |
| MDL Number | MFCD00077723 |
| SMILES | OC(COCC1=CC=CC=C1)C(O)COCC1=CC=CC=C1 |
| Synonym | (-)-(2S,3S)-1,4-Bis(benzyloxy)-2,3-butanediol |
| IUPAC Name | 1,4-bis(benzyloxy)butane-2,3-diol |
| InChI Key | YAVAVQDYJARRAU-UHFFFAOYNA-N |
| Molecular Formula | C18H22O4 |
4-Butylbenzyl Bromide 97.0+%, TCI America™
CAS: 10531-16-5 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 InChI Key: XNQBGVFFKGZXJH-UHFFFAOYSA-N PubChem CID: 12150840 IUPAC Name: 1-(bromomethyl)-4-butylbenzene SMILES: CCCCC1=CC=C(C=C1)CBr
| PubChem CID | 12150840 |
|---|---|
| CAS | 10531-16-5 |
| Molecular Weight (g/mol) | 227.145 |
| SMILES | CCCCC1=CC=C(C=C1)CBr |
| IUPAC Name | 1-(bromomethyl)-4-butylbenzene |
| InChI Key | XNQBGVFFKGZXJH-UHFFFAOYSA-N |
| Molecular Formula | C11H15Br |
alpha-Chloro-m-xylene 97.0+%, TCI America™
CAS: 620-19-9 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000909 InChI Key: LZBOHNCMCCSTJX-UHFFFAOYSA-N Synonym: 3-methylbenzyl chloride,1-chloromethyl-3-methylbenzene,m-xylyl chloride,3-methylbenzylchloride,alpha-chloro-m-xylene,m-methylbenzyl chloride,1-chloromethyl-3-methyl-benzene,m-chloromethyl toluene,3-chloromethyl toluene,benzene, 1-chloromethyl-3-methyl PubChem CID: 12102 IUPAC Name: 1-(chloromethyl)-3-methylbenzene SMILES: CC1=CC(=CC=C1)CCl
| PubChem CID | 12102 |
|---|---|
| CAS | 620-19-9 |
| Molecular Weight (g/mol) | 140.61 |
| MDL Number | MFCD00000909 |
| SMILES | CC1=CC(=CC=C1)CCl |
| Synonym | 3-methylbenzyl chloride,1-chloromethyl-3-methylbenzene,m-xylyl chloride,3-methylbenzylchloride,alpha-chloro-m-xylene,m-methylbenzyl chloride,1-chloromethyl-3-methyl-benzene,m-chloromethyl toluene,3-chloromethyl toluene,benzene, 1-chloromethyl-3-methyl |
| IUPAC Name | 1-(chloromethyl)-3-methylbenzene |
| InChI Key | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl |
(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 98.0+%, TCI America™
CAS: 16495-03-7 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00043000 InChI Key: DBFDSKSLTCMIPB-LBPRGKRZSA-N PubChem CID: 10878747 IUPAC Name: (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane SMILES: CC1(OCC(O1)COCC2=CC=CC=C2)C
| PubChem CID | 10878747 |
|---|---|
| CAS | 16495-03-7 |
| Molecular Weight (g/mol) | 222.284 |
| MDL Number | MFCD00043000 |
| SMILES | CC1(OCC(O1)COCC2=CC=CC=C2)C |
| IUPAC Name | (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane |
| InChI Key | DBFDSKSLTCMIPB-LBPRGKRZSA-N |
| Molecular Formula | C13H18O3 |
3-Benzyloxyphenylacetonitrile 98.0+%, TCI America™
CAS: 20967-96-8 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00016396 InChI Key: CKZFVIPFANUBDW-UHFFFAOYSA-N Synonym: 3-benzyloxyphenylacetonitrile,2-3-benzyloxy phenyl acetonitrile,3-benzyloxybenzyl cyanide,2-3-phenylmethoxyphenyl acetonitrile,2-3-phenylmethoxy phenyl ethanenitrile,maybridge3_000453,3-benzyloxyphenyl acetonitrile,3-benzyloxy-phenyl acetonitrile,3-benzyloxyphenyl-acetonitrile PubChem CID: 519831 IUPAC Name: 2-[3-(benzyloxy)phenyl]acetonitrile SMILES: N#CCC1=CC(OCC2=CC=CC=C2)=CC=C1
| PubChem CID | 519831 |
|---|---|
| CAS | 20967-96-8 |
| Molecular Weight (g/mol) | 223.28 |
| MDL Number | MFCD00016396 |
| SMILES | N#CCC1=CC(OCC2=CC=CC=C2)=CC=C1 |
| Synonym | 3-benzyloxyphenylacetonitrile,2-3-benzyloxy phenyl acetonitrile,3-benzyloxybenzyl cyanide,2-3-phenylmethoxyphenyl acetonitrile,2-3-phenylmethoxy phenyl ethanenitrile,maybridge3_000453,3-benzyloxyphenyl acetonitrile,3-benzyloxy-phenyl acetonitrile,3-benzyloxyphenyl-acetonitrile |
| IUPAC Name | 2-[3-(benzyloxy)phenyl]acetonitrile |
| InChI Key | CKZFVIPFANUBDW-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
3-Chloro-4-fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 192702-01-5 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD01631551 InChI Key: GGTQWWTYUKXFPP-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorobenzyl bromide,4-bromomethyl-2-chloro-1-fluorobenzene,alpha-bromo-3-chloro-4-fluorotoluene,1-bromomethyl-3-chloro-4-fluorobenzene,3-chloro-4-fluorobenzylbromide,3-chloro-4-fluoro benzyl bromide,benzene, 4-bromomethyl-2-chloro-1-fluoro,pubchem2130,acmc-209ewf,4-bromomethyl-2-chloro-1-fluoro-benzene PubChem CID: 2757542 IUPAC Name: 4-(bromomethyl)-2-chloro-1-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1Cl
| PubChem CID | 2757542 |
|---|---|
| CAS | 192702-01-5 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD01631551 |
| SMILES | FC1=CC=C(CBr)C=C1Cl |
| Synonym | 3-chloro-4-fluorobenzyl bromide,4-bromomethyl-2-chloro-1-fluorobenzene,alpha-bromo-3-chloro-4-fluorotoluene,1-bromomethyl-3-chloro-4-fluorobenzene,3-chloro-4-fluorobenzylbromide,3-chloro-4-fluoro benzyl bromide,benzene, 4-bromomethyl-2-chloro-1-fluoro,pubchem2130,acmc-209ewf,4-bromomethyl-2-chloro-1-fluoro-benzene |
| IUPAC Name | 4-(bromomethyl)-2-chloro-1-fluorobenzene |
| InChI Key | GGTQWWTYUKXFPP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
alpha,alpha'-Dichloro-m-xylene 96.0+%, TCI America™
CAS: 626-16-4 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.052 MDL Number: MFCD00000912 InChI Key: GRJWOKACBGZOKT-UHFFFAOYSA-N Synonym: 1,3-bis chloromethyl benzene,alpha,alpha'-dichloro-m-xylene,m-xylylene dichloride,benzene, 1,3-bis chloromethyl,m-bis chloromethyl benzene,m-xylylene chloride,m-dichloroxylene,benzene, 1,3-dichloromethyl,ccris 1774,m-xylene, .alpha.,.alpha.'-dichloro PubChem CID: 12275 IUPAC Name: 1,3-bis(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)CCl)CCl
| PubChem CID | 12275 |
|---|---|
| CAS | 626-16-4 |
| Molecular Weight (g/mol) | 175.052 |
| MDL Number | MFCD00000912 |
| SMILES | C1=CC(=CC(=C1)CCl)CCl |
| Synonym | 1,3-bis chloromethyl benzene,alpha,alpha'-dichloro-m-xylene,m-xylylene dichloride,benzene, 1,3-bis chloromethyl,m-bis chloromethyl benzene,m-xylylene chloride,m-dichloroxylene,benzene, 1,3-dichloromethyl,ccris 1774,m-xylene, .alpha.,.alpha.'-dichloro |
| IUPAC Name | 1,3-bis(chloromethyl)benzene |
| InChI Key | GRJWOKACBGZOKT-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2 |
4-Chloro-3-fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1
| PubChem CID | 2783136 |
|---|---|
| CAS | 206362-80-3 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD04115859 |
| SMILES | FC1=C(Cl)C=CC(CBr)=C1 |
| Synonym | 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn |
| IUPAC Name | 4-(bromomethyl)-1-chloro-2-fluorobenzene |
| InChI Key | CNUYBEIHDWMLSD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
4-Isopropylbenzenethiol 94.0+%, TCI America™
CAS: 4946-14-9 Molecular Formula: C9H11S Molecular Weight (g/mol): 151.25 MDL Number: MFCD00041505 InChI Key: APDUDRFJNCIWAG-UHFFFAOYSA-M Synonym: 4-isopropylthiophenol,4-isopropylbenzenethiol,4-isopropyl thiophenol,4-propan-2-yl benzene-1-thiol,benzenethiol, 4-1-methylethyl,4-1-methylethyl benzenethiol,p-cumyl mercaptan,pubchem6814,p-isopropyl thiophenol PubChem CID: 521251 IUPAC Name: [4-(propan-2-yl)phenyl]sulfanide SMILES: CC(C)C1=CC=C([S-])C=C1
| PubChem CID | 521251 |
|---|---|
| CAS | 4946-14-9 |
| Molecular Weight (g/mol) | 151.25 |
| MDL Number | MFCD00041505 |
| SMILES | CC(C)C1=CC=C([S-])C=C1 |
| Synonym | 4-isopropylthiophenol,4-isopropylbenzenethiol,4-isopropyl thiophenol,4-propan-2-yl benzene-1-thiol,benzenethiol, 4-1-methylethyl,4-1-methylethyl benzenethiol,p-cumyl mercaptan,pubchem6814,p-isopropyl thiophenol |
| IUPAC Name | [4-(propan-2-yl)phenyl]sulfanide |
| InChI Key | APDUDRFJNCIWAG-UHFFFAOYSA-M |
| Molecular Formula | C9H11S |
2-Bromocumene 97.0+%, TCI America™
CAS: 7073-94-1 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00051567 InChI Key: LECYCYNAEJDSIL-UHFFFAOYSA-N Synonym: 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene PubChem CID: 23475 IUPAC Name: 1-bromo-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1Br
| PubChem CID | 23475 |
|---|---|
| CAS | 7073-94-1 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00051567 |
| SMILES | CC(C)C1=CC=CC=C1Br |
| Synonym | 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene |
| IUPAC Name | 1-bromo-2-propan-2-ylbenzene |
| InChI Key | LECYCYNAEJDSIL-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |