Benzene and substituted derivatives
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3-Amino-4-methoxybenzamide, 98%
CAS: 17481-27-5 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017132 InChI Key: INCJNDAQNPWMPZ-UHFFFAOYSA-N Synonym: benzamide, 3-amino-4-methoxy,3-amino-p-anisamide,3-amino-4-methoxy-benzamide,3-amino-4-methoxy benzamide,acmc-209e8v,5-amino-4-methoxybenzamide,cambridge id 5306680,ksc495o3j,incjndaqnpwmpz-uhfffaoysa PubChem CID: 87135 IUPAC Name: 3-amino-4-methoxybenzamide SMILES: COC1=C(C=C(C=C1)C(=O)N)N
| PubChem CID | 87135 |
|---|---|
| CAS | 17481-27-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017132 |
| SMILES | COC1=C(C=C(C=C1)C(=O)N)N |
| Synonym | benzamide, 3-amino-4-methoxy,3-amino-p-anisamide,3-amino-4-methoxy-benzamide,3-amino-4-methoxy benzamide,acmc-209e8v,5-amino-4-methoxybenzamide,cambridge id 5306680,ksc495o3j,incjndaqnpwmpz-uhfffaoysa |
| IUPAC Name | 3-amino-4-methoxybenzamide |
| InChI Key | INCJNDAQNPWMPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
Tri-p-tolylphosphine, 98%
CAS: 1038-95-5 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.37 MDL Number: MFCD00008542 InChI Key: WXAZIUYTQHYBFW-UHFFFAOYSA-N Synonym: tri-p-tolylphosphine,tris 4-methylphenyl phosphine,tri p-tolyl phosphine,phosphine, tris 4-methylphenyl,tri-para-tolylphosphine,tris p-tolyl phosphine,phosphine, tri-p-tolyl,tris 4-methylphenyl phosphane,phosphine, tris p-tolyl,tri-p-tolyl phosphine PubChem CID: 13956 IUPAC Name: tris(4-methylphenyl)phosphane SMILES: CC1=CC=C(C=C1)P(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
| PubChem CID | 13956 |
|---|---|
| CAS | 1038-95-5 |
| Molecular Weight (g/mol) | 304.37 |
| MDL Number | MFCD00008542 |
| SMILES | CC1=CC=C(C=C1)P(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1 |
| Synonym | tri-p-tolylphosphine,tris 4-methylphenyl phosphine,tri p-tolyl phosphine,phosphine, tris 4-methylphenyl,tri-para-tolylphosphine,tris p-tolyl phosphine,phosphine, tri-p-tolyl,tris 4-methylphenyl phosphane,phosphine, tris p-tolyl,tri-p-tolyl phosphine |
| IUPAC Name | tris(4-methylphenyl)phosphane |
| InChI Key | WXAZIUYTQHYBFW-UHFFFAOYSA-N |
| Molecular Formula | C21H21P |
5-Bromo-3-methyl-benzene-1,2-diamine, 97%, Thermo Scientific™
CAS: 76153-06-5 Molecular Formula: C7H9BrN2 Molecular Weight (g/mol): 201.067 InChI Key: UOFSLKHZOPVGHG-UHFFFAOYSA-N Synonym: 5-bromo-3-methyl-benzene-1,2-diamine,5-bromo-3-methyl-1,2-benzenediamine,1,2-benzenediamine, 5-bromo-3-methyl,2,3-diamino-5-bromotoluene,5-bromo-2,3-diaminotoluene,bromomethylbenzenediamine,pubchem22667,ksc642k2n,5-bromo-2,3-diamino-toluene,5-bromo-2.3-diamino-toluene PubChem CID: 1516397 IUPAC Name: 5-bromo-3-methylbenzene-1,2-diamine SMILES: CC1=CC(=CC(=C1N)N)Br
| PubChem CID | 1516397 |
|---|---|
| CAS | 76153-06-5 |
| Molecular Weight (g/mol) | 201.067 |
| SMILES | CC1=CC(=CC(=C1N)N)Br |
| Synonym | 5-bromo-3-methyl-benzene-1,2-diamine,5-bromo-3-methyl-1,2-benzenediamine,1,2-benzenediamine, 5-bromo-3-methyl,2,3-diamino-5-bromotoluene,5-bromo-2,3-diaminotoluene,bromomethylbenzenediamine,pubchem22667,ksc642k2n,5-bromo-2,3-diamino-toluene,5-bromo-2.3-diamino-toluene |
| IUPAC Name | 5-bromo-3-methylbenzene-1,2-diamine |
| InChI Key | UOFSLKHZOPVGHG-UHFFFAOYSA-N |
| Molecular Formula | C7H9BrN2 |
2-Iodo-1,3,5-trimethylbenzene, 98%
CAS: 4028-63-1 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.091 MDL Number: MFCD00013707 InChI Key: GTPNXFKONRIHRW-UHFFFAOYSA-N Synonym: 2,4,6-trimethyliodobenzene,2-iodomesitylene,mesityl iodide,benzene, 2-iodo-1,3,5-trimethyl,iodo-2,4,6-trimethylbenzene,2,4,6-trimethyliodobenzene 2-iodomesitylene,iodomesitylene,jodmesitylen,mesityliodine,pubchem12601 PubChem CID: 77647 IUPAC Name: 2-iodo-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)I)C
| PubChem CID | 77647 |
|---|---|
| CAS | 4028-63-1 |
| Molecular Weight (g/mol) | 246.091 |
| MDL Number | MFCD00013707 |
| SMILES | CC1=CC(=C(C(=C1)C)I)C |
| Synonym | 2,4,6-trimethyliodobenzene,2-iodomesitylene,mesityl iodide,benzene, 2-iodo-1,3,5-trimethyl,iodo-2,4,6-trimethylbenzene,2,4,6-trimethyliodobenzene 2-iodomesitylene,iodomesitylene,jodmesitylen,mesityliodine,pubchem12601 |
| IUPAC Name | 2-iodo-1,3,5-trimethylbenzene |
| InChI Key | GTPNXFKONRIHRW-UHFFFAOYSA-N |
| Molecular Formula | C9H11I |
3-Nitrobenzyl chloride, 98%
CAS: 619-23-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007272 InChI Key: APGGSERFJKEWFG-UHFFFAOYSA-N Synonym: 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324 PubChem CID: 12078 IUPAC Name: 1-(chloromethyl)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(CCl)=C1
| PubChem CID | 12078 |
|---|---|
| CAS | 619-23-8 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007272 |
| SMILES | [O-][N+](=O)C1=CC=CC(CCl)=C1 |
| Synonym | 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324 |
| IUPAC Name | 1-(chloromethyl)-3-nitrobenzene |
| InChI Key | APGGSERFJKEWFG-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Benzyl alcohol, specified according to requirements of Ph.Eur.
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Biphenyl-4,4'-dicarbonitrile, 98%
CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
| PubChem CID | 15321 |
|---|---|
| CAS | 1591-30-6 |
| Molecular Weight (g/mol) | 204.232 |
| MDL Number | MFCD00013805 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N |
| Synonym | 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile |
| IUPAC Name | 4-(4-cyanophenyl)benzonitrile |
| InChI Key | KAXYYLCSSXFXKR-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2 |
p-Anisaldehyde dimethyl acetal, 98%
CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1
| PubChem CID | 75140 |
|---|---|
| CAS | 2186-92-7 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00036507 |
| SMILES | COC(OC)C1=CC=C(OC)C=C1 |
| Synonym | 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal |
| IUPAC Name | 1-(dimethoxymethyl)-4-methoxybenzene |
| InChI Key | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
2-Nitroanisole, 99%
CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 7048 |
|---|---|
| CAS | 91-23-6 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:48722 |
| MDL Number | MFCD00007096 |
| SMILES | COC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene |
| IUPAC Name | 1-methoxy-2-nitrobenzene |
| InChI Key | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4-Isopropylphenylhydrazine hydrochloride, 98%
CAS: 118427-29-5 Molecular Formula: C9H14N2 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00013461 InChI Key: ZYATZFJUOXJFPY-UHFFFAOYSA-N Synonym: 4-isopropylphenylhydrazine hydrochloride,4-isopropylphenyl hydrazine hydrochloride,1-4-isopropylphenyl hydrazine hydrochloride,4-propan-2-yl phenyl hydrazine hydrochloride,hydrazine, 4-1-methylethyl phenyl-, monohydrochloride,4-isopropylphenylhydrazinehydrochloride,pubchem7533,acmc-1cbwc,4-propan-2-ylphenyl hydrazine hydrochloride,ksc183e0j PubChem CID: 2733248 IUPAC Name: (4-propan-2-ylphenyl)hydrazine;hydrochloride SMILES: CC(C)C1=CC=C(NN)C=C1
| PubChem CID | 2733248 |
|---|---|
| CAS | 118427-29-5 |
| Molecular Weight (g/mol) | 150.23 |
| MDL Number | MFCD00013461 |
| SMILES | CC(C)C1=CC=C(NN)C=C1 |
| Synonym | 4-isopropylphenylhydrazine hydrochloride,4-isopropylphenyl hydrazine hydrochloride,1-4-isopropylphenyl hydrazine hydrochloride,4-propan-2-yl phenyl hydrazine hydrochloride,hydrazine, 4-1-methylethyl phenyl-, monohydrochloride,4-isopropylphenylhydrazinehydrochloride,pubchem7533,acmc-1cbwc,4-propan-2-ylphenyl hydrazine hydrochloride,ksc183e0j |
| IUPAC Name | (4-propan-2-ylphenyl)hydrazine;hydrochloride |
| InChI Key | ZYATZFJUOXJFPY-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2 |
Ethyl 3,5-bis(trifluoromethyl)benzoate, 97%, Thermo Scientific™
CAS: 96617-71-9 Molecular Formula: C11H8F6O2 Molecular Weight (g/mol): 286.17 MDL Number: MFCD01320684 InChI Key: NBWZJMOEFTYMOF-UHFFFAOYSA-N Synonym: ethyl 3,5-bis trifluoromethyl benzoate,3,5-bis-trifluoromethyl-benzoic acid ethyl ester,3,5-bis trifluoromethyl benzoic acid ethyl ester,rarechem al bi 0207,acmc-20al07,ethyl 3?5-bis trifluoromethyl benzoate,ethyl 3 5-bis trifluoromethyl benzoate,benzoic acid, 3,5-bis trifluoromethyl-, ethyl ester PubChem CID: 2733458 IUPAC Name: ethyl 3,5-bis(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2733458 |
|---|---|
| CAS | 96617-71-9 |
| Molecular Weight (g/mol) | 286.17 |
| MDL Number | MFCD01320684 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | ethyl 3,5-bis trifluoromethyl benzoate,3,5-bis-trifluoromethyl-benzoic acid ethyl ester,3,5-bis trifluoromethyl benzoic acid ethyl ester,rarechem al bi 0207,acmc-20al07,ethyl 3?5-bis trifluoromethyl benzoate,ethyl 3 5-bis trifluoromethyl benzoate,benzoic acid, 3,5-bis trifluoromethyl-, ethyl ester |
| IUPAC Name | ethyl 3,5-bis(trifluoromethyl)benzoate |
| InChI Key | NBWZJMOEFTYMOF-UHFFFAOYSA-N |
| Molecular Formula | C11H8F6O2 |
N-Methyl-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzylamine, 97%, Thermo Scientific™
CAS: 898598-62-4 Molecular Formula: C13H14F3N3 Molecular Weight (g/mol): 269.271 MDL Number: MFCD09817515 InChI Key: OTPQTKMWNNGSEX-UHFFFAOYSA-N Synonym: n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzylamine,methyl 2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methyl amine,n-methyl-1-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl-3-pyrazolyl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanamine,benzenemethanamine,n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl PubChem CID: 24229664 IUPAC Name: N-methyl-1-[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanamine SMILES: CNCC1=CC=CC=C1C2=CC(=NN2C)C(F)(F)F
| PubChem CID | 24229664 |
|---|---|
| CAS | 898598-62-4 |
| Molecular Weight (g/mol) | 269.271 |
| MDL Number | MFCD09817515 |
| SMILES | CNCC1=CC=CC=C1C2=CC(=NN2C)C(F)(F)F |
| Synonym | n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzylamine,methyl 2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methyl amine,n-methyl-1-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl-3-pyrazolyl phenyl methanamine,n-methyl-1-2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanamine,benzenemethanamine,n-methyl-2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl |
| IUPAC Name | N-methyl-1-[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanamine |
| InChI Key | OTPQTKMWNNGSEX-UHFFFAOYSA-N |
| Molecular Formula | C13H14F3N3 |
4-Iodobenzoyl chloride, 98%
CAS: 1711-02-0 Molecular Formula: C7H4ClIO Molecular Weight (g/mol): 266.46 MDL Number: MFCD00001058 InChI Key: NJAKCIUOTIPYED-UHFFFAOYSA-N Synonym: p-iodobenzoyl chloride,benzoyl chloride, 4-iodo,benzoyl chloride, p-iodo,4-iodobenzoic acid chloride,4-iodobenzoylchloride,4-iodo-benzoyl chloride,4iodobenzoyl chloride,4-iodo-benzoylchlorid,rho-iodobenzoyl chloride,4-iodo benzoyl chloride PubChem CID: 74373 IUPAC Name: 4-iodobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)I
| PubChem CID | 74373 |
|---|---|
| CAS | 1711-02-0 |
| Molecular Weight (g/mol) | 266.46 |
| MDL Number | MFCD00001058 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)I |
| Synonym | p-iodobenzoyl chloride,benzoyl chloride, 4-iodo,benzoyl chloride, p-iodo,4-iodobenzoic acid chloride,4-iodobenzoylchloride,4-iodo-benzoyl chloride,4iodobenzoyl chloride,4-iodo-benzoylchlorid,rho-iodobenzoyl chloride,4-iodo benzoyl chloride |
| IUPAC Name | 4-iodobenzoyl chloride |
| InChI Key | NJAKCIUOTIPYED-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClIO |
Methyl 3-amino-4-iodobenzoate, 97%
CAS: 412947-54-7 Molecular Formula: C8H8INO2 Molecular Weight (g/mol): 277.061 MDL Number: MFCD08064225 InChI Key: WJEBNIVVLJEIKE-UHFFFAOYSA-N Synonym: 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester PubChem CID: 21628210 IUPAC Name: methyl 3-amino-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)N
| PubChem CID | 21628210 |
|---|---|
| CAS | 412947-54-7 |
| Molecular Weight (g/mol) | 277.061 |
| MDL Number | MFCD08064225 |
| SMILES | COC(=O)C1=CC(=C(C=C1)I)N |
| Synonym | 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-4-iodobenzoate |
| InChI Key | WJEBNIVVLJEIKE-UHFFFAOYSA-N |
| Molecular Formula | C8H8INO2 |
n-Hexyl benzoate, 98+%
CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 23235 |
|---|---|
| CAS | 6789-88-4 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00051714 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 |
| IUPAC Name | hexyl benzoate |
| InChI Key | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |