Benzene and substituted derivatives
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o-Dianisidine, free base, 99.9%, MP Biomedicals™
CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
| PubChem CID | 8411 |
|---|---|
| CAS | 119-90-4 |
| Molecular Weight (g/mol) | 244.294 |
| ChEBI | CHEBI:82321 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N |
| Synonym | 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b |
| IUPAC Name | 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline |
| InChI Key | JRBJSXQPQWSCCF-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight (g/mol) | 265.4 |
|---|---|
| Color | Colorless to Yellow |
| Physical Form | Viscous Liquid |
| UN Number | 2735 |
| Chemical Name or Material | 2,4,6-Tris(dimethylaminomethyl)phenol |
| CAS | 90-72-2 |
| Infrared Spectrum | Conforms |
| MDL Number | 00008330 |
| Packaging | Glass bottle |
| Flash Point | 149°C |
| Health Hazard 1 | Exclamation mark |
| Alpha Vector | TRISDIMETHYLAMINOMETHYLPHENOL |
| Refractive Index | 1.5150 to 1.5170 (20°C, 589 nm) |
| RTECS Number | SN3500000 |
| Recommended Storage | Normal conditions |
| Shelf Life | 5 years |
| Molecular Formula | C15 H27 N3 O |
| EINECS Number | 202-013-9 |
p-Anisaldehyde, 99+%
CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
| PubChem CID | 31244 |
|---|---|
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| MDL Number | MFCD00003385 |
| SMILES | COC1=CC=C(C=C1)C=O |
| Synonym | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
(±)-Bay K 8644, Thermo Scientific Chemicals
CAS: 71145-03-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 MDL Number: MFCD00036697 InChI Key: ZFLWDHHVRRZMEI-UHFFFAOYSA-N Synonym: methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester PubChem CID: 2303 ChEBI: CHEBI:34555 IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
| PubChem CID | 2303 |
|---|---|
| CAS | 71145-03-4 |
| Molecular Weight (g/mol) | 356.301 |
| ChEBI | CHEBI:34555 |
| MDL Number | MFCD00036697 |
| SMILES | CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC |
| Synonym | methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester |
| IUPAC Name | methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate |
| InChI Key | ZFLWDHHVRRZMEI-UHFFFAOYSA-N |
| Molecular Formula | C16H15F3N2O4 |
3-Iodobenzoic acid, 98%
CAS: 618-51-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.01 MDL Number: MFCD00002496 InChI Key: KVBWBCRPWVKFQT-UHFFFAOYSA-N Synonym: m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene PubChem CID: 12060 IUPAC Name: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O
| PubChem CID | 12060 |
|---|---|
| CAS | 618-51-9 |
| Molecular Weight (g/mol) | 248.01 |
| MDL Number | MFCD00002496 |
| SMILES | C1=CC(=CC(=C1)I)C(=O)O |
| Synonym | m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene |
| IUPAC Name | 3-iodobenzoic acid |
| InChI Key | KVBWBCRPWVKFQT-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO2 |
4-Bromobenzoyl chloride, 98+%
CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 68515 |
|---|---|
| CAS | 586-75-4 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD00000683 |
| SMILES | ClC(=O)C1=CC=C(Br)C=C1 |
| Synonym | p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride |
| IUPAC Name | 4-bromobenzoyl chloride |
| InChI Key | DENKGPBHLYFNGK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
3-Methylanisole, 99%
CAS: 100-84-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008395 InChI Key: OSIGJGFTADMDOB-UHFFFAOYSA-N Synonym: 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether PubChem CID: 7530 IUPAC Name: 1-methoxy-3-methylbenzene SMILES: COC1=CC=CC(C)=C1
| PubChem CID | 7530 |
|---|---|
| CAS | 100-84-5 |
| Molecular Weight (g/mol) | 122.17 |
| MDL Number | MFCD00008395 |
| SMILES | COC1=CC=CC(C)=C1 |
| Synonym | 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether |
| IUPAC Name | 1-methoxy-3-methylbenzene |
| InChI Key | OSIGJGFTADMDOB-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Ethyl benzoate, 99%
CAS: 93-89-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Synonym: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1
| PubChem CID | 7165 |
|---|---|
| CAS | 93-89-0 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00009109 |
| SMILES | CCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 |
| IUPAC Name | ethyl benzoate |
| InChI Key | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Diphenyliodonium hexafluorophosphate, 98%
CAS: 58109-40-3 Molecular Formula: C12H10I Molecular Weight (g/mol): 281.12 MDL Number: MFCD00061398 InChI Key: OZLBDYMWFAHSOQ-UHFFFAOYSA-N Synonym: diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide PubChem CID: 2737136 IUPAC Name: diphenyliodanium SMILES: [I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2737136 |
|---|---|
| CAS | 58109-40-3 |
| Molecular Weight (g/mol) | 281.12 |
| MDL Number | MFCD00061398 |
| SMILES | [I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide |
| IUPAC Name | diphenyliodanium |
| InChI Key | OZLBDYMWFAHSOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10I |
(Methoxycarbonylmethylene)triphenylphosphorane, 98%
CAS: 2605-67-6 Molecular Formula: C21H19O2P Molecular Weight (g/mol): 334.36 MDL Number: MFCD00008455 InChI Key: NTNUDYROPUKXNA-UHFFFAOYSA-N Synonym: methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester PubChem CID: 17453 IUPAC Name: methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 17453 |
|---|---|
| CAS | 2605-67-6 |
| Molecular Weight (g/mol) | 334.36 |
| MDL Number | MFCD00008455 |
| SMILES | COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester |
| IUPAC Name | methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate |
| InChI Key | NTNUDYROPUKXNA-UHFFFAOYSA-N |
| Molecular Formula | C21H19O2P |
3-Methyl-1-phenyl-2-phospholene 1-oxide, 94%
CAS: 707-61-9 Molecular Formula: C11H13OP Molecular Weight (g/mol): 192.198 MDL Number: MFCD00014518 InChI Key: YMKWWHFRGALXLE-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-2-phospholene 1-oxide,3-methyl-1-phenyl-2-phospholene-1-oxide,2,3-dihydro-4-methyl-1-phenyl-1h-phosphole 1-oxide,1h-phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide,4-methyl-1-phenyl-2,3-dihydro-1h-phosphole 1-oxide,2-phospholene, 3-methyl-1-phenyl-, 1-oxide,2,3-dihydro-4-methyl-1-phenyl-1h-phosphole, 1-oxide,4-methyl-1-phenyl-2,3-dihydro-1$l^ 5-phosphole 1-oxide,3-methyl-1-phenyl-4,5-dihydro-1??-phosphol-1-one,2-phospholene, 1-oxide PubChem CID: 69722 IUPAC Name: 4-methyl-1-phenyl-2,3-dihydro-1$l^{5}-phosphole 1-oxide SMILES: CC1=CP(=O)(CC1)C2=CC=CC=C2
| PubChem CID | 69722 |
|---|---|
| CAS | 707-61-9 |
| Molecular Weight (g/mol) | 192.198 |
| MDL Number | MFCD00014518 |
| SMILES | CC1=CP(=O)(CC1)C2=CC=CC=C2 |
| Synonym | 3-methyl-1-phenyl-2-phospholene 1-oxide,3-methyl-1-phenyl-2-phospholene-1-oxide,2,3-dihydro-4-methyl-1-phenyl-1h-phosphole 1-oxide,1h-phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide,4-methyl-1-phenyl-2,3-dihydro-1h-phosphole 1-oxide,2-phospholene, 3-methyl-1-phenyl-, 1-oxide,2,3-dihydro-4-methyl-1-phenyl-1h-phosphole, 1-oxide,4-methyl-1-phenyl-2,3-dihydro-1$l^ 5-phosphole 1-oxide,3-methyl-1-phenyl-4,5-dihydro-1??-phosphol-1-one,2-phospholene, 1-oxide |
| IUPAC Name | 4-methyl-1-phenyl-2,3-dihydro-1$l^{5}-phosphole 1-oxide |
| InChI Key | YMKWWHFRGALXLE-UHFFFAOYSA-N |
| Molecular Formula | C11H13OP |
4,4'-Methylenebis(phenyl isocyanate), 98%
CAS: 101-68-8 Molecular Formula: C15H10N2O2 Molecular Weight (g/mol): 250.257 MDL Number: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Synonym: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
| PubChem CID | 7570 |
|---|---|
| CAS | 101-68-8 |
| Molecular Weight (g/mol) | 250.257 |
| ChEBI | CHEBI:53218 |
| MDL Number | MFCD00036131 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| Synonym | 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate |
| IUPAC Name | 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene |
| InChI Key | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
| Molecular Formula | C15H10N2O2 |
Diphenyl carbonate, 99%
CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00003037 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| MDL Number | MFCD00003037 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
Terephthalic acid, 99+%
CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
| PubChem CID | 7489 |
|---|---|
| CAS | 100-21-0 |
| Molecular Weight (g/mol) | 166.13 |
| ChEBI | CHEBI:15702 |
| MDL Number | MFCD00002558 |
| SMILES | C1=CC(=CC=C1C(=O)O)C(=O)O |
| Synonym | p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene |
| IUPAC Name | terephthalic acid |
| InChI Key | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
Anthranilamide, 99+%
CAS: 88-68-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Synonym: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N
| PubChem CID | 6942 |
|---|---|
| CAS | 88-68-6 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00007981 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)N |
| Synonym | anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van |
| IUPAC Name | 2-aminobenzamide |
| InChI Key | PXBFMLJZNCDSMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |