Benzenoids
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Pentafluorophenylacetic Acid 98.0+%, TCI America™
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CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
| PubChem CID | 69553 |
|---|---|
| CAS | 653-21-4 |
| Molecular Weight (g/mol) | 226.102 |
| MDL Number | MFCD00004316 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| Synonym | pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid |
| IUPAC Name | 2-(2,3,4,5,6-pentafluorophenyl)acetic acid |
| InChI Key | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
Ethyl 4-Phenoxybutyrate 96.0+%, TCI America™
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CAS: 2364-59-2 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD01321182 InChI Key: XSVIVXBQBFMYCS-UHFFFAOYSA-N Synonym: 4-Phenoxybutyric Acid Ethyl Ester PubChem CID: 222539 IUPAC Name: ethyl 4-phenoxybutanoate SMILES: CCOC(=O)CCCOC1=CC=CC=C1
| PubChem CID | 222539 |
|---|---|
| CAS | 2364-59-2 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD01321182 |
| SMILES | CCOC(=O)CCCOC1=CC=CC=C1 |
| Synonym | 4-Phenoxybutyric Acid Ethyl Ester |
| IUPAC Name | ethyl 4-phenoxybutanoate |
| InChI Key | XSVIVXBQBFMYCS-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™
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CAS: 876062-39-4 Molecular Formula: C12H16BFO2 Molecular Weight (g/mol): 222.07 MDL Number: MFCD05663874 InChI Key: RZYXBJMVAFMMLQ-UHFFFAOYSA-N Synonym: 1-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 2-Fluorophenylboronic Acid Pinacol Ester PubChem CID: 12159722 IUPAC Name: 2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1F
| PubChem CID | 12159722 |
|---|---|
| CAS | 876062-39-4 |
| Molecular Weight (g/mol) | 222.07 |
| MDL Number | MFCD05663874 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1F |
| Synonym | 1-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 2-Fluorophenylboronic Acid Pinacol Ester |
| IUPAC Name | 2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | RZYXBJMVAFMMLQ-UHFFFAOYSA-N |
| Molecular Formula | C12H16BFO2 |
4-tert-Butylbenzyl Chloride 89.0+%, TCI America™
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CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1
| PubChem CID | 88198 |
|---|---|
| CAS | 19692-45-6 |
| Molecular Weight (g/mol) | 182.69 |
| MDL Number | MFCD00000918 |
| SMILES | CC(C)(C)C1=CC=C(CCl)C=C1 |
| Synonym | 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene |
| IUPAC Name | 1-tert-butyl-4-(chloromethyl)benzene |
| InChI Key | WAXIFMGAKWIFDQ-UHFFFAOYSA-N |
| Molecular Formula | C11H15Cl |
2,6-Dinitro-p-cresol (wetted with ca. 20% Water) (unit weight on dry weight basis) 98.0+%, TCI America™
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CAS: 609-93-8 Molecular Formula: C7H6N2O5 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00007121 InChI Key: HOYRZHJJAHRMLL-UHFFFAOYSA-N Synonym: 2,6-dinitro-p-cresol,4-methyl-2,6-dinitrophenol,victoria orange,victoria yellow,dinitro-p-cresol,2,6-dinitro-4-methylphenol,dnpc,phenol, 4-methyl-2,6-dinitro,p-cresol, 2,6-dinitro,unii-l572bvh6nf PubChem CID: 11872 IUPAC Name: 4-methyl-2,6-dinitrophenol SMILES: CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 11872 |
|---|---|
| CAS | 609-93-8 |
| Molecular Weight (g/mol) | 198.13 |
| MDL Number | MFCD00007121 |
| SMILES | CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O |
| Synonym | 2,6-dinitro-p-cresol,4-methyl-2,6-dinitrophenol,victoria orange,victoria yellow,dinitro-p-cresol,2,6-dinitro-4-methylphenol,dnpc,phenol, 4-methyl-2,6-dinitro,p-cresol, 2,6-dinitro,unii-l572bvh6nf |
| IUPAC Name | 4-methyl-2,6-dinitrophenol |
| InChI Key | HOYRZHJJAHRMLL-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O5 |
(S)-(-)-1-(4-Methoxyphenyl)ethylamine 98.0+%, TCI America™
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CAS: 41851-59-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671660 InChI Key: JTDGKQNNPKXKII-ZETCQYMHSA-N Synonym: s---1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethanamine,s-1-4-methoxyphenyl ethylamine,s-1-4-methoxy-phenyl-ethylamine,1s-1-4-methoxyphenyl ethanamine,s--1-4-methoxyphenyl ethylamine,s-p-1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethan-1-amine,1s-1-4-methoxyphenyl ethan-1-amine PubChem CID: 793467 IUPAC Name: (1S)-1-(4-methoxyphenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)OC)N
| PubChem CID | 793467 |
|---|---|
| CAS | 41851-59-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00671660 |
| SMILES | CC(C1=CC=C(C=C1)OC)N |
| Synonym | s---1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethanamine,s-1-4-methoxyphenyl ethylamine,s-1-4-methoxy-phenyl-ethylamine,1s-1-4-methoxyphenyl ethanamine,s--1-4-methoxyphenyl ethylamine,s-p-1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethan-1-amine,1s-1-4-methoxyphenyl ethan-1-amine |
| IUPAC Name | (1S)-1-(4-methoxyphenyl)ethanamine |
| InChI Key | JTDGKQNNPKXKII-ZETCQYMHSA-N |
| Molecular Formula | C9H13NO |
1-Bromo-4-iodobenzene 98.0+%, TCI America™
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CAS: 589-87-7 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.906 MDL Number: MFCD00001051 InChI Key: UCCUXODGPMAHRL-UHFFFAOYSA-N Synonym: 4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene PubChem CID: 11522 IUPAC Name: 1-bromo-4-iodobenzene SMILES: C1=CC(=CC=C1Br)I
| PubChem CID | 11522 |
|---|---|
| CAS | 589-87-7 |
| Molecular Weight (g/mol) | 282.906 |
| MDL Number | MFCD00001051 |
| SMILES | C1=CC(=CC=C1Br)I |
| Synonym | 4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene |
| IUPAC Name | 1-bromo-4-iodobenzene |
| InChI Key | UCCUXODGPMAHRL-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrI |
4-(4-Hydroxyphenyl)benzoic Acid 98.0+%, TCI America™
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CAS: 58574-03-1 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00059078 InChI Key: JTGCXYYDAVPSFD-UHFFFAOYSA-N Synonym: 4'-hydroxy-4-biphenylcarboxylic acid,4-4-hydroxyphenyl benzoic acid,4'-hydroxybiphenyl-4-carboxylic acid,4'-hydroxy-1,1'-biphenyl-4-carboxylic acid,4-hydroxy-4'-biphenylcarboxylic acid,4'-hydroxy biphenyl-4-carboxylic acid,4-hydroxybiphenyl-4'-carboxylic acid,1,1'-biphenyl-4-carboxylic acid, 4'-hydroxy,chembl90522,4'-hydroxy 1,1'-biphenyl-4-carboxylic acid PubChem CID: 301556 IUPAC Name: 4-(4-hydroxyphenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O
| PubChem CID | 301556 |
|---|---|
| CAS | 58574-03-1 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00059078 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O |
| Synonym | 4'-hydroxy-4-biphenylcarboxylic acid,4-4-hydroxyphenyl benzoic acid,4'-hydroxybiphenyl-4-carboxylic acid,4'-hydroxy-1,1'-biphenyl-4-carboxylic acid,4-hydroxy-4'-biphenylcarboxylic acid,4'-hydroxy biphenyl-4-carboxylic acid,4-hydroxybiphenyl-4'-carboxylic acid,1,1'-biphenyl-4-carboxylic acid, 4'-hydroxy,chembl90522,4'-hydroxy 1,1'-biphenyl-4-carboxylic acid |
| IUPAC Name | 4-(4-hydroxyphenyl)benzoic acid |
| InChI Key | JTGCXYYDAVPSFD-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
p-Xylylene Dithiocyanate 98.0+%, TCI America™
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CAS: 1014-99-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.308 InChI Key: ZMFLUYPLYCZQDR-UHFFFAOYSA-N PubChem CID: 4460705 IUPAC Name: [4-(thiocyanatomethyl)phenyl]methyl thiocyanate SMILES: C1=CC(=CC=C1CSC#N)CSC#N
| PubChem CID | 4460705 |
|---|---|
| CAS | 1014-99-9 |
| Molecular Weight (g/mol) | 220.308 |
| SMILES | C1=CC(=CC=C1CSC#N)CSC#N |
| IUPAC Name | [4-(thiocyanatomethyl)phenyl]methyl thiocyanate |
| InChI Key | ZMFLUYPLYCZQDR-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2S2 |
4-(1-Propenyl)-1,2-dimethoxybenzene 98.0+%, TCI America™
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CAS: 93-16-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009282 InChI Key: NNWHUJCUHAELCL-PLNGDYQASA-N Synonym: 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether PubChem CID: 1549045 ChEBI: CHEBI:50550 IUPAC Name: 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene SMILES: CC=CC1=CC(=C(C=C1)OC)OC
| PubChem CID | 1549045 |
|---|---|
| CAS | 93-16-3 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:50550 |
| MDL Number | MFCD00009282 |
| SMILES | CC=CC1=CC(=C(C=C1)OC)OC |
| Synonym | 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether |
| IUPAC Name | 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene |
| InChI Key | NNWHUJCUHAELCL-PLNGDYQASA-N |
| Molecular Formula | C11H14O2 |
1,3,5-Tris(3-bromophenyl)benzene 96.0+%, TCI America™
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CAS: 96761-85-2 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD02323390 InChI Key: JKCQADHKVQXKFF-UHFFFAOYSA-N PubChem CID: 4576280 IUPAC Name: 1,3,5-tris(3-bromophenyl)benzene SMILES: C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
| PubChem CID | 4576280 |
|---|---|
| CAS | 96761-85-2 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD02323390 |
| SMILES | C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br |
| IUPAC Name | 1,3,5-tris(3-bromophenyl)benzene |
| InChI Key | JKCQADHKVQXKFF-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
3,3'-Bis(trifluoromethyl)benzophenone 98.0+%, TCI America™
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CAS: 1868-00-4 Molecular Formula: C15H8F6O Molecular Weight (g/mol): 318.218 MDL Number: MFCD00000390 InChI Key: POOXOHISLGOAEF-UHFFFAOYSA-N Synonym: 3,3'-bis trifluoromethyl benzophenone,bis 3-trifluoromethyl phenyl methanone,3,3'-di trifluoromethyl benzophenone,3,3'-bis trifluoromethyl ,benzophenone,di3-trifluoromethyl phenyl ketone,pubchem6402,acmc-1chtz,3,3-bis trifluoromethyl benzophenone,labotest-bb lt00159871 PubChem CID: 599788 IUPAC Name: bis[3-(trifluoromethyl)phenyl]methanone SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CC(=CC=C2)C(F)(F)F
| PubChem CID | 599788 |
|---|---|
| CAS | 1868-00-4 |
| Molecular Weight (g/mol) | 318.218 |
| MDL Number | MFCD00000390 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CC(=CC=C2)C(F)(F)F |
| Synonym | 3,3'-bis trifluoromethyl benzophenone,bis 3-trifluoromethyl phenyl methanone,3,3'-di trifluoromethyl benzophenone,3,3'-bis trifluoromethyl ,benzophenone,di3-trifluoromethyl phenyl ketone,pubchem6402,acmc-1chtz,3,3-bis trifluoromethyl benzophenone,labotest-bb lt00159871 |
| IUPAC Name | bis[3-(trifluoromethyl)phenyl]methanone |
| InChI Key | POOXOHISLGOAEF-UHFFFAOYSA-N |
| Molecular Formula | C15H8F6O |
4-Nitrobenzyl Cyanide 98.0+%, TCI America™
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CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]
| PubChem CID | 68386 |
|---|---|
| CAS | 555-21-5 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00007372 |
| SMILES | C1=CC(=CC=C1CC#N)[N+](=O)[O-] |
| Synonym | 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile |
| IUPAC Name | 2-(4-nitrophenyl)acetonitrile |
| InChI Key | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
3-Bromobenzamide 98.0+%, TCI America™
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CAS: 22726-00-7 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00017127 InChI Key: ODJFDWIECLJWSR-UHFFFAOYSA-N Synonym: m-bromobenzamide,benzamide, 3-bromo,3-bromo-benzamide,benzamide, m-bromo,3-carbamoyl bromobenzene,3-bromanylbenzamide,pubchem3734,3-bromophenylcarboxamide,acmc-209fyc,3-bromobenzoic acid amide PubChem CID: 89807 IUPAC Name: 3-bromobenzamide SMILES: C1=CC(=CC(=C1)Br)C(=O)N
| PubChem CID | 89807 |
|---|---|
| CAS | 22726-00-7 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00017127 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)N |
| Synonym | m-bromobenzamide,benzamide, 3-bromo,3-bromo-benzamide,benzamide, m-bromo,3-carbamoyl bromobenzene,3-bromanylbenzamide,pubchem3734,3-bromophenylcarboxamide,acmc-209fyc,3-bromobenzoic acid amide |
| IUPAC Name | 3-bromobenzamide |
| InChI Key | ODJFDWIECLJWSR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
4-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 19501-58-7 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl
| PubChem CID | 2723904 |
|---|---|
| CAS | 19501-58-7 |
| Molecular Weight (g/mol) | 174.628 |
| MDL Number | MFCD00012945 |
| SMILES | COC1=CC=C(C=C1)NN.Cl |
| Synonym | 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride |
| IUPAC Name | (4-methoxyphenyl)hydrazine;hydrochloride |
| InChI Key | FQHCPFMTXFJZJS-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O |