Benzenoids
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4,4'-Methylenebis(2-chloroaniline) 90.0+%, TCI America™
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CAS: 101-14-4 Molecular Formula: C13H12Cl2N2 Molecular Weight (g/mol): 267.15 MDL Number: MFCD00047829 InChI Key: IBOFVQJTBBUKMU-UHFFFAOYSA-N Synonym: 4,4'-methylenebis 2-chloroaniline,moca,quodorole,cyanaset,bisamine,dacpm,mboca,curalin m,diamet kh,methylenebis chloroaniline PubChem CID: 7543 ChEBI: CHEBI:28124 IUPAC Name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline SMILES: NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl
| PubChem CID | 7543 |
|---|---|
| CAS | 101-14-4 |
| Molecular Weight (g/mol) | 267.15 |
| ChEBI | CHEBI:28124 |
| MDL Number | MFCD00047829 |
| SMILES | NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl |
| Synonym | 4,4'-methylenebis 2-chloroaniline,moca,quodorole,cyanaset,bisamine,dacpm,mboca,curalin m,diamet kh,methylenebis chloroaniline |
| IUPAC Name | 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline |
| InChI Key | IBOFVQJTBBUKMU-UHFFFAOYSA-N |
| Molecular Formula | C13H12Cl2N2 |
4-(2',6'-Dimethylphenoxy)phthalonitrile 99.0+%, TCI America™
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CAS: 221302-75-6 Molecular Formula: C16H12N2O Molecular Weight (g/mol): 248.285 MDL Number: MFCD00059064 InChI Key: LJUVUOSWARAIBZ-UHFFFAOYSA-N PubChem CID: 952073 IUPAC Name: 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile SMILES: CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
| PubChem CID | 952073 |
|---|---|
| CAS | 221302-75-6 |
| Molecular Weight (g/mol) | 248.285 |
| MDL Number | MFCD00059064 |
| SMILES | CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N |
| IUPAC Name | 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile |
| InChI Key | LJUVUOSWARAIBZ-UHFFFAOYSA-N |
| Molecular Formula | C16H12N2O |
2-Bromobenzaldehyde 98.0+%, TCI America™
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CAS: 6630-33-7 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003300 InChI Key: NDOPHXWIAZIXPR-UHFFFAOYSA-N Synonym: o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo PubChem CID: 81129 IUPAC Name: 2-bromobenzaldehyde SMILES: BrC1=CC=CC=C1C=O
| PubChem CID | 81129 |
|---|---|
| CAS | 6630-33-7 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003300 |
| SMILES | BrC1=CC=CC=C1C=O |
| Synonym | o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo |
| IUPAC Name | 2-bromobenzaldehyde |
| InChI Key | NDOPHXWIAZIXPR-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
2-Fluorobenzenethiol 98.0+%, TCI America™
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CAS: 2557-78-0 Molecular Formula: C6H4FS Molecular Weight (g/mol): 127.16 MDL Number: MFCD00041419 InChI Key: WJTZZPVVTSDNJJ-UHFFFAOYSA-M Synonym: 2-fluorothiophenol,o-fluorothiophenol,o-fluorobenzenethiol,2-fluorobenzene-1-thiol,fluorothiophenol,o-fluoro thiophenol,2-fluoro-thiophenol,2-fluoro-benzenethiol,2-fluorobenzene thiol,pubchem5428 PubChem CID: 520216 IUPAC Name: (2-fluorophenyl)sulfanide SMILES: FC1=CC=CC=C1[S-]
| PubChem CID | 520216 |
|---|---|
| CAS | 2557-78-0 |
| Molecular Weight (g/mol) | 127.16 |
| MDL Number | MFCD00041419 |
| SMILES | FC1=CC=CC=C1[S-] |
| Synonym | 2-fluorothiophenol,o-fluorothiophenol,o-fluorobenzenethiol,2-fluorobenzene-1-thiol,fluorothiophenol,o-fluoro thiophenol,2-fluoro-thiophenol,2-fluoro-benzenethiol,2-fluorobenzene thiol,pubchem5428 |
| IUPAC Name | (2-fluorophenyl)sulfanide |
| InChI Key | WJTZZPVVTSDNJJ-UHFFFAOYSA-M |
| Molecular Formula | C6H4FS |
3,5-Dichlorosalicylic Acid 98.0+%, TCI America™
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CAS: 320-72-9 Molecular Formula: C7H4Cl2O3 Molecular Weight (g/mol): 207.006 MDL Number: MFCD00002442 InChI Key: CNJGWCQEGROXEE-UHFFFAOYSA-N Synonym: 3,5-dichlorosalicylic acid,benzoic acid, 3,5-dichloro-2-hydroxy,salicylic acid, 3,5-dichloro,usaf do-68,2-hydroxy-3,5-dichlorobenzoic acid,unii-o6pxr32g3v,3,5-dichlorosalicyclic acid,3,5-dichlorosalicylicacid,3,5-dichloro-2-hydroxy-benzoic acid,o6pxr32g3v PubChem CID: 9445 IUPAC Name: 3,5-dichloro-2-hydroxybenzoic acid SMILES: C1=C(C=C(C(=C1Cl)O)C(=O)O)Cl
| PubChem CID | 9445 |
|---|---|
| CAS | 320-72-9 |
| Molecular Weight (g/mol) | 207.006 |
| MDL Number | MFCD00002442 |
| SMILES | C1=C(C=C(C(=C1Cl)O)C(=O)O)Cl |
| Synonym | 3,5-dichlorosalicylic acid,benzoic acid, 3,5-dichloro-2-hydroxy,salicylic acid, 3,5-dichloro,usaf do-68,2-hydroxy-3,5-dichlorobenzoic acid,unii-o6pxr32g3v,3,5-dichlorosalicyclic acid,3,5-dichlorosalicylicacid,3,5-dichloro-2-hydroxy-benzoic acid,o6pxr32g3v |
| IUPAC Name | 3,5-dichloro-2-hydroxybenzoic acid |
| InChI Key | CNJGWCQEGROXEE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O3 |
1-Hydroxypyrene 98.0+%, TCI America™
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CAS: 5315-79-7 Molecular Formula: C16H10O Molecular Weight (g/mol): 218.255 MDL Number: MFCD00044543 InChI Key: BIJNHUAPTJVVNQ-UHFFFAOYSA-N Synonym: 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci PubChem CID: 21387 ChEBI: CHEBI:34093 IUPAC Name: pyren-1-ol SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
| PubChem CID | 21387 |
|---|---|
| CAS | 5315-79-7 |
| Molecular Weight (g/mol) | 218.255 |
| ChEBI | CHEBI:34093 |
| MDL Number | MFCD00044543 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O |
| Synonym | 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci |
| IUPAC Name | pyren-1-ol |
| InChI Key | BIJNHUAPTJVVNQ-UHFFFAOYSA-N |
| Molecular Formula | C16H10O |
7-Chloro-1-tetralone 95.0+%, TCI America™
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CAS: 26673-32-5 Molecular Formula: C10H9ClO Molecular Weight (g/mol): 180.63 MDL Number: MFCD01928386 InChI Key: IIMAYXKDBHTQHC-UHFFFAOYSA-N Synonym: 7-Chloro-3,4-dihydro-1(2H)-naphthalenone PubChem CID: 256677 IUPAC Name: 7-chloro-1,2,3,4-tetrahydronaphthalen-1-one SMILES: ClC1=CC=C2CCCC(=O)C2=C1
| PubChem CID | 256677 |
|---|---|
| CAS | 26673-32-5 |
| Molecular Weight (g/mol) | 180.63 |
| MDL Number | MFCD01928386 |
| SMILES | ClC1=CC=C2CCCC(=O)C2=C1 |
| Synonym | 7-Chloro-3,4-dihydro-1(2H)-naphthalenone |
| IUPAC Name | 7-chloro-1,2,3,4-tetrahydronaphthalen-1-one |
| InChI Key | IIMAYXKDBHTQHC-UHFFFAOYSA-N |
| Molecular Formula | C10H9ClO |
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1F)(O)O |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl |
| TSCA | No |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 110°C |
Methyl 3-Bromo-4-fluorobenzoate 98.0+%, TCI America™
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CAS: 82702-31-6 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.04 MDL Number: MFCD04972915 InChI Key: JVORYGNKYAXATM-UHFFFAOYSA-N Synonym: 3-Bromo-4-fluorobenzoic Acid Methyl Ester PubChem CID: 7018022 IUPAC Name: methyl 3-bromo-4-fluorobenzoate SMILES: COC(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 7018022 |
|---|---|
| CAS | 82702-31-6 |
| Molecular Weight (g/mol) | 233.04 |
| MDL Number | MFCD04972915 |
| SMILES | COC(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3-Bromo-4-fluorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 3-bromo-4-fluorobenzoate |
| InChI Key | JVORYGNKYAXATM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO2 |
Methyl 4-Iodobenzoate 98.0+%, TCI America™
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CAS: 619-44-3 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate SMILES: COC(=O)C1=CC=C(C=C1)I
| PubChem CID | 69273 |
|---|---|
| CAS | 619-44-3 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00016353 |
| SMILES | COC(=O)C1=CC=C(C=C1)I |
| Synonym | methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate |
| IUPAC Name | methyl 4-iodobenzoate |
| InChI Key | DYUWQWMXZHDZOR-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
1,2-Dihydroxynaphthalene 95.0+%, TCI America™
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CAS: 574-00-5 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00003959 InChI Key: NXPPAOGUKPJVDI-UHFFFAOYSA-N Synonym: 1,2-Naphthalenediol PubChem CID: 11318 ChEBI: CHEBI:17435 IUPAC Name: naphthalene-1,2-diol SMILES: C1=CC=C2C(=C1)C=CC(=C2O)O
| PubChem CID | 11318 |
|---|---|
| CAS | 574-00-5 |
| Molecular Weight (g/mol) | 160.172 |
| ChEBI | CHEBI:17435 |
| MDL Number | MFCD00003959 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2O)O |
| Synonym | 1,2-Naphthalenediol |
| IUPAC Name | naphthalene-1,2-diol |
| InChI Key | NXPPAOGUKPJVDI-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
6-Amino-1-naphthol 98.0+%, TCI America™
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CAS: 23894-12-4 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00059543 InChI Key: QYFYIOWLBSPSDM-UHFFFAOYSA-N PubChem CID: 90295 IUPAC Name: 6-aminonaphthalen-1-ol SMILES: NC1=CC=C2C(O)=CC=CC2=C1
| PubChem CID | 90295 |
|---|---|
| CAS | 23894-12-4 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00059543 |
| SMILES | NC1=CC=C2C(O)=CC=CC2=C1 |
| IUPAC Name | 6-aminonaphthalen-1-ol |
| InChI Key | QYFYIOWLBSPSDM-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
8-Amino-1-naphthalenesulfonic Acid 98.0+%, TCI America™
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CAS: 82-75-7 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.246 MDL Number: MFCD00035730 InChI Key: CYJJLCDCWVZEDZ-UHFFFAOYSA-N Synonym: peri acid,8-amino-1-naphthalenesulfonic acid,1-naphthylamine-8-sulfonic acid,1-naphthalenesulfonic acid, 8-amino,8-aminonaphthalene-1-sulphonic acid,naphthylaminemonosulfonic acid s,1-amino-8-naphthalene sulfonate,1-aminonaphthalene-8-sulfonic acid,schollkopf's acid van,schollkopf's acid PubChem CID: 6722 IUPAC Name: 8-aminonaphthalene-1-sulfonic acid SMILES: C1=CC2=C(C(=C1)N)C(=CC=C2)S(=O)(=O)O
| PubChem CID | 6722 |
|---|---|
| CAS | 82-75-7 |
| Molecular Weight (g/mol) | 223.246 |
| MDL Number | MFCD00035730 |
| SMILES | C1=CC2=C(C(=C1)N)C(=CC=C2)S(=O)(=O)O |
| Synonym | peri acid,8-amino-1-naphthalenesulfonic acid,1-naphthylamine-8-sulfonic acid,1-naphthalenesulfonic acid, 8-amino,8-aminonaphthalene-1-sulphonic acid,naphthylaminemonosulfonic acid s,1-amino-8-naphthalene sulfonate,1-aminonaphthalene-8-sulfonic acid,schollkopf's acid van,schollkopf's acid |
| IUPAC Name | 8-aminonaphthalene-1-sulfonic acid |
| InChI Key | CYJJLCDCWVZEDZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3S |
4-Aminophenol Hydrochloride 98.0+%, TCI America™
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CAS: 51-78-5 Molecular Formula: C6H8ClNO Molecular Weight (g/mol): 145.586 MDL Number: MFCD00012996 InChI Key: RVGOBWDGAVAVPJ-UHFFFAOYSA-N Synonym: 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp PubChem CID: 5828 IUPAC Name: 4-aminophenol;hydrochloride SMILES: C1=CC(=CC=C1N)O.Cl
| PubChem CID | 5828 |
|---|---|
| CAS | 51-78-5 |
| Molecular Weight (g/mol) | 145.586 |
| MDL Number | MFCD00012996 |
| SMILES | C1=CC(=CC=C1N)O.Cl |
| Synonym | 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp |
| IUPAC Name | 4-aminophenol;hydrochloride |
| InChI Key | RVGOBWDGAVAVPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClNO |
Acenaphthylene 94.0+%, TCI America™
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CAS: 208-96-8 Molecular Formula: C12H8 Molecular Weight (g/mol): 152.20 MDL Number: MFCD00003806 InChI Key: HXGDTGSAIMULJN-UHFFFAOYSA-N Synonym: acenaphthalene,cyclopenta de naphthalene,dsstox_cid_3845,dsstox_rid_77204,dsstox_gsid_23845,acenaphthylen,acenaphthylene, radical ion 1-,acenaphthylene PubChem CID: 9161 ChEBI: CHEBI:33081 IUPAC Name: acenaphthylene SMILES: C1=CC2=C3C1=CC=CC3=CC=C2
| PubChem CID | 9161 |
|---|---|
| CAS | 208-96-8 |
| Molecular Weight (g/mol) | 152.20 |
| ChEBI | CHEBI:33081 |
| MDL Number | MFCD00003806 |
| SMILES | C1=CC2=C3C1=CC=CC3=CC=C2 |
| Synonym | acenaphthalene,cyclopenta de naphthalene,dsstox_cid_3845,dsstox_rid_77204,dsstox_gsid_23845,acenaphthylen,acenaphthylene, radical ion 1-,acenaphthylene |
| IUPAC Name | acenaphthylene |
| InChI Key | HXGDTGSAIMULJN-UHFFFAOYSA-N |
| Molecular Formula | C12H8 |