Benzene and substituted derivatives
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4-(4-Iodophenoxy)tetrahydropyran, 97%, Thermo Scientific™
CAS: 144808-72-0 Molecular Formula: C11H13IO2 Molecular Weight (g/mol): 304.127 MDL Number: MFCD09064966 InChI Key: PQUFKWFIWPZFBM-UHFFFAOYSA-N Synonym: 4-4-iodophenoxy tetrahydropyran,4-4-iodophenoxy oxane,4-4-iodophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-iodophenoxy,acmc-20e5io PubChem CID: 24229524 IUPAC Name: 4-(4-iodophenoxy)oxane SMILES: C1COCCC1OC2=CC=C(C=C2)I
| PubChem CID | 24229524 |
|---|---|
| CAS | 144808-72-0 |
| Molecular Weight (g/mol) | 304.127 |
| MDL Number | MFCD09064966 |
| SMILES | C1COCCC1OC2=CC=C(C=C2)I |
| Synonym | 4-4-iodophenoxy tetrahydropyran,4-4-iodophenoxy oxane,4-4-iodophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-iodophenoxy,acmc-20e5io |
| IUPAC Name | 4-(4-iodophenoxy)oxane |
| InChI Key | PQUFKWFIWPZFBM-UHFFFAOYSA-N |
| Molecular Formula | C11H13IO2 |
4-Bromo-2-chloro-1-fluorobenzene, 98+%
CAS: 60811-21-4 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00051794 InChI Key: CJTIWGBQCVYTQE-UHFFFAOYSA-N Synonym: 1-bromo-3-chloro-4-fluorobenzene,3-chloro-4-fluorobromobenzene,4-bromo-2-chlorofluorobenzene,3-chloro-4-fluorobenzene bromide,4-bromo-2-chloro-fluorobenzene,4-bromo-2-chloro-1-fluoro-benzene,benzene, 4-bromo-2-chloro-1-fluoro,pubchem2169,acmc-209mma,ksc493o4n PubChem CID: 3543065 IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene SMILES: FC1=C(Cl)C=C(Br)C=C1
| PubChem CID | 3543065 |
|---|---|
| CAS | 60811-21-4 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00051794 |
| SMILES | FC1=C(Cl)C=C(Br)C=C1 |
| Synonym | 1-bromo-3-chloro-4-fluorobenzene,3-chloro-4-fluorobromobenzene,4-bromo-2-chlorofluorobenzene,3-chloro-4-fluorobenzene bromide,4-bromo-2-chloro-fluorobenzene,4-bromo-2-chloro-1-fluoro-benzene,benzene, 4-bromo-2-chloro-1-fluoro,pubchem2169,acmc-209mma,ksc493o4n |
| IUPAC Name | 4-bromo-2-chloro-1-fluorobenzene |
| InChI Key | CJTIWGBQCVYTQE-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
4-(1h-Imidazol-1-ylmethyl)benzaldehyde, 97%, Thermo Scientific™
CAS: 102432-03-1 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: PYVCQHSLEIAQET-UHFFFAOYSA-N PubChem CID: 11126983 IUPAC Name: 4-(imidazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=O
| PubChem CID | 11126983 |
|---|---|
| CAS | 102432-03-1 |
| Molecular Weight (g/mol) | 186.214 |
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)C=O |
| IUPAC Name | 4-(imidazol-1-ylmethyl)benzaldehyde |
| InChI Key | PYVCQHSLEIAQET-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
2-Iodobenzyl alcohol, 98+%
CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I
| PubChem CID | 107629 |
|---|---|
| CAS | 5159-41-1 |
| Molecular Weight (g/mol) | 234.036 |
| MDL Number | MFCD00004610 |
| SMILES | C1=CC=C(C(=C1)CO)I |
| Synonym | 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol |
| IUPAC Name | (2-iodophenyl)methanol |
| InChI Key | WZCXOBMFBKSSFA-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
2-Bromophenylacetic acid, 98+%
CAS: 18698-97-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00004314 InChI Key: DWXSYDKEWORWBT-UHFFFAOYSA-N Synonym: 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg PubChem CID: 87754 IUPAC Name: 2-(2-bromophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)Br
| PubChem CID | 87754 |
|---|---|
| CAS | 18698-97-0 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00004314 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)Br |
| Synonym | 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg |
| IUPAC Name | 2-(2-bromophenyl)acetic acid |
| InChI Key | DWXSYDKEWORWBT-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3-Methyl-4-nitroaniline, 95%
CAS: 611-05-2 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00091833 InChI Key: XPAYEWBTLKOEDA-UHFFFAOYSA-N Synonym: 4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene PubChem CID: 11898 IUPAC Name: 3-methyl-4-nitroaniline SMILES: CC1=C(C=CC(=C1)N)[N+](=O)[O-]
| PubChem CID | 11898 |
|---|---|
| CAS | 611-05-2 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00091833 |
| SMILES | CC1=C(C=CC(=C1)N)[N+](=O)[O-] |
| Synonym | 4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene |
| IUPAC Name | 3-methyl-4-nitroaniline |
| InChI Key | XPAYEWBTLKOEDA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4-Amino-2,3,5,6-tetrafluorobenzoic acid, 97%
CAS: 944-43-4 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007647 InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid PubChem CID: 70345 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O
| PubChem CID | 70345 |
|---|---|
| CAS | 944-43-4 |
| Molecular Weight (g/mol) | 209.1 |
| MDL Number | MFCD00007647 |
| SMILES | C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O |
| Synonym | 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid |
| IUPAC Name | 4-amino-2,3,5,6-tetrafluorobenzoic acid |
| InChI Key | WTNSXWSOTDBWOR-UHFFFAOYSA-N |
| Molecular Formula | C7H3F4NO2 |
2,6-Difluorophenylacetic acid, 98%
CAS: 85068-28-6 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00010001 InChI Key: FUGDCKXBUZFEON-UHFFFAOYSA-N Synonym: 2,6-difluorophenylacetic acid,2-2,6-difluorophenyl acetic acid,2,6-difluorophenyl acetic acid,2,6-difluoro-benzene acetic acid,benzeneacetic acid, 2,6-difluoro,2,6-difluorophenylaceticacid,pubchem8397,acmc-209xw7,rarechem al bo 0249 PubChem CID: 123585 IUPAC Name: 2-(2,6-difluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)F)CC(=O)O)F
| PubChem CID | 123585 |
|---|---|
| CAS | 85068-28-6 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00010001 |
| SMILES | C1=CC(=C(C(=C1)F)CC(=O)O)F |
| Synonym | 2,6-difluorophenylacetic acid,2-2,6-difluorophenyl acetic acid,2,6-difluorophenyl acetic acid,2,6-difluoro-benzene acetic acid,benzeneacetic acid, 2,6-difluoro,2,6-difluorophenylaceticacid,pubchem8397,acmc-209xw7,rarechem al bo 0249 |
| IUPAC Name | 2-(2,6-difluorophenyl)acetic acid |
| InChI Key | FUGDCKXBUZFEON-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
3,4-Difluorotoluene, 98%
CAS: 2927-34-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD00075087 InChI Key: FZMPLKVGINKUJZ-UHFFFAOYSA-N PubChem CID: 2733400 IUPAC Name: 1,2-difluoro-4-methylbenzene SMILES: CC1=CC=C(F)C(F)=C1
| PubChem CID | 2733400 |
|---|---|
| CAS | 2927-34-6 |
| Molecular Weight (g/mol) | 128.12 |
| MDL Number | MFCD00075087 |
| SMILES | CC1=CC=C(F)C(F)=C1 |
| IUPAC Name | 1,2-difluoro-4-methylbenzene |
| InChI Key | FZMPLKVGINKUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2 |
p-Tolyl chlorothionoformate, 97%
CAS: 937-63-3 Molecular Formula: C8H7ClOS Molecular Weight (g/mol): 186.65 MDL Number: MFCD00014466 InChI Key: UNCAXIZUVRKBMN-UHFFFAOYSA-N Synonym: 4-methylphenyl chlorothioformate,o-p-tolyl chlorothioformate,p-tolyl chlorothionoformate,4-tolyl chlorothionoformate,4-methylphenyl chloromethanethioate,o-4-methylphenyl chlorothioformate,carbonochloridothioic acid, o-4-methylphenyl ester,o-4-methylphenyl carbonochloridothioate,chlorothioformic acid p-tolyl ester,4-methylphenoxy methanethioyl chloride PubChem CID: 70305 IUPAC Name: O-(4-methylphenyl) chloromethanethioate SMILES: CC1=CC=C(OC(Cl)=S)C=C1
| PubChem CID | 70305 |
|---|---|
| CAS | 937-63-3 |
| Molecular Weight (g/mol) | 186.65 |
| MDL Number | MFCD00014466 |
| SMILES | CC1=CC=C(OC(Cl)=S)C=C1 |
| Synonym | 4-methylphenyl chlorothioformate,o-p-tolyl chlorothioformate,p-tolyl chlorothionoformate,4-tolyl chlorothionoformate,4-methylphenyl chloromethanethioate,o-4-methylphenyl chlorothioformate,carbonochloridothioic acid, o-4-methylphenyl ester,o-4-methylphenyl carbonochloridothioate,chlorothioformic acid p-tolyl ester,4-methylphenoxy methanethioyl chloride |
| IUPAC Name | O-(4-methylphenyl) chloromethanethioate |
| InChI Key | UNCAXIZUVRKBMN-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClOS |
4-(Trifluoromethyl)benzhydrazide, 98%
CAS: 339-59-3 Molecular Formula: C8H7F3N2O Molecular Weight (g/mol): 204.15 MDL Number: MFCD00051703 InChI Key: GKBDXTNCBPZMFX-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzhydrazide,4-trifluoromethyl benzohydrazide,4-trifluoromethyl benzoic acid hydrazide,4-trifluoromethylbenzhydrazide,4-trifluoromethylbenzoic acid hydrazide,4-trifluoromethyl benzene-1-carbohydrazide,1-trifluoromethyl benzene-4-carbohydrazide,alpha,alpha,alpha-trifluoro-p-toluic acid hydrazide,benzoic acid, 4-trifluoromethyl-, hydrazide,pubchem4506 PubChem CID: 520662 IUPAC Name: 4-(trifluoromethyl)benzohydrazide SMILES: NNC(=O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 520662 |
|---|---|
| CAS | 339-59-3 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD00051703 |
| SMILES | NNC(=O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzhydrazide,4-trifluoromethyl benzohydrazide,4-trifluoromethyl benzoic acid hydrazide,4-trifluoromethylbenzhydrazide,4-trifluoromethylbenzoic acid hydrazide,4-trifluoromethyl benzene-1-carbohydrazide,1-trifluoromethyl benzene-4-carbohydrazide,alpha,alpha,alpha-trifluoro-p-toluic acid hydrazide,benzoic acid, 4-trifluoromethyl-, hydrazide,pubchem4506 |
| IUPAC Name | 4-(trifluoromethyl)benzohydrazide |
| InChI Key | GKBDXTNCBPZMFX-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3N2O |
Methyl 2-amino-4-chlorobenzoate, 95%, Thermo Scientific™
CAS: 5900-58-3 InChI Key: YPSSCICDVDOEAI-UHFFFAOYSA-N Synonym: methyl 4-chloroanthranilate,2-amino-4-chloro-benzoic acid methyl ester,methyl2-amino-4-chlorobenzoate,benzoic acid, 2-amino-4-chloro-, methyl ester,2-amino-4-chlorobenzoic acid methyl ester,pubchem4643,methyl 4-chloro-anthranilate,methyl 2-amino4-chlorobenzoate,methyl-2-amino-4-chlorobenzoate PubChem CID: 80001 IUPAC Name: methyl 2-amino-4-chlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)N
| PubChem CID | 80001 |
|---|---|
| CAS | 5900-58-3 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)N |
| Synonym | methyl 4-chloroanthranilate,2-amino-4-chloro-benzoic acid methyl ester,methyl2-amino-4-chlorobenzoate,benzoic acid, 2-amino-4-chloro-, methyl ester,2-amino-4-chlorobenzoic acid methyl ester,pubchem4643,methyl 4-chloro-anthranilate,methyl 2-amino4-chlorobenzoate,methyl-2-amino-4-chlorobenzoate |
| IUPAC Name | methyl 2-amino-4-chlorobenzoate |
| InChI Key | YPSSCICDVDOEAI-UHFFFAOYSA-N |
2-Amino-5-fluorobenzoic acid, 97%
CAS: 446-08-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00055566 InChI Key: FPQMGQZTBWIHDN-UHFFFAOYSA-N Synonym: 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo PubChem CID: 101412 ChEBI: CHEBI:78042 IUPAC Name: 2-amino-5-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)N
| PubChem CID | 101412 |
|---|---|
| CAS | 446-08-2 |
| Molecular Weight (g/mol) | 155.128 |
| ChEBI | CHEBI:78042 |
| MDL Number | MFCD00055566 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)N |
| Synonym | 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo |
| IUPAC Name | 2-amino-5-fluorobenzoic acid |
| InChI Key | FPQMGQZTBWIHDN-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
2,6-Dichloro-4-(trifluoromethyl)benzonitrile, 97%, Thermo Scientific™
CAS: 157021-61-9 Molecular Formula: C8H2Cl2F3N Molecular Weight (g/mol): 240.006 MDL Number: MFCD00220879 InChI Key: NCXSSFQXQAOREM-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-trifluoromethyl benzonitrile,4-cyano-3,5-dichlorobenzotrifluoride,benzonitrile,2,6-dichloro-4-trifluoromethyl,2,6-dichloro-4-trifluoromethyl benzenecarbonitrile,buttpark 14550-33,intermediates-zcf02189,ncxssfqxqaorem-uhfffaoysa,buttpark 145\50-33 PubChem CID: 2736870 IUPAC Name: 2,6-dichloro-4-(trifluoromethyl)benzonitrile SMILES: C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F
| PubChem CID | 2736870 |
|---|---|
| CAS | 157021-61-9 |
| Molecular Weight (g/mol) | 240.006 |
| MDL Number | MFCD00220879 |
| SMILES | C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F |
| Synonym | 2,6-dichloro-4-trifluoromethyl benzonitrile,4-cyano-3,5-dichlorobenzotrifluoride,benzonitrile,2,6-dichloro-4-trifluoromethyl,2,6-dichloro-4-trifluoromethyl benzenecarbonitrile,buttpark 14550-33,intermediates-zcf02189,ncxssfqxqaorem-uhfffaoysa,buttpark 145\50-33 |
| IUPAC Name | 2,6-dichloro-4-(trifluoromethyl)benzonitrile |
| InChI Key | NCXSSFQXQAOREM-UHFFFAOYSA-N |
| Molecular Formula | C8H2Cl2F3N |
o-Toluic hydrazide, 98+%
CAS: 7658-80-2 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00014756 InChI Key: KFXLXEQCRFGDRU-UHFFFAOYSA-N Synonym: o-toluic hydrazide,o-toluic acid hydrazide,o-toluohydrazide,2-toluic hydrazide,2-methyl-benzoic acid hydrazide,benzoylhydrazine, o-methyl,benzoic acid, 2-methyl-, hydrazide,2-methylbenzenecarbohydrazide,methylbenzohydrazide,2-methylbenzhydrazide PubChem CID: 82110 IUPAC Name: 2-methylbenzohydrazide SMILES: CC1=CC=CC=C1C(=O)NN
| PubChem CID | 82110 |
|---|---|
| CAS | 7658-80-2 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00014756 |
| SMILES | CC1=CC=CC=C1C(=O)NN |
| Synonym | o-toluic hydrazide,o-toluic acid hydrazide,o-toluohydrazide,2-toluic hydrazide,2-methyl-benzoic acid hydrazide,benzoylhydrazine, o-methyl,benzoic acid, 2-methyl-, hydrazide,2-methylbenzenecarbohydrazide,methylbenzohydrazide,2-methylbenzhydrazide |
| IUPAC Name | 2-methylbenzohydrazide |
| InChI Key | KFXLXEQCRFGDRU-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |