Benzene and substituted derivatives
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alpha,alpha'-Dibromo-m-xylene, 97%
CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr
| PubChem CID | 69373 |
|---|---|
| CAS | 626-15-3 |
| Molecular Weight (g/mol) | 263.95 |
| SMILES | C1=CC(=CC(=C1)CBr)CBr |
| Synonym | 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene |
| IUPAC Name | 1,3-bis(bromomethyl)benzene |
| InChI Key | OXHOPZLBSSTTBU-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
trans-beta-Nitrostyrene, 97+%
CAS: 5153-67-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00007402 InChI Key: PIAOLBVUVDXHHL-VOTSOKGWSA-N Synonym: trans-beta-nitrostyrene,2-nitrovinyl benzene,e-2-nitrovinyl benzene,beta-nitrostyrene,2-nitro-1-phenylethylene,e-beta-nitrostyrene,2-nitroethenyl benzene,1-phenyl-2-nitroethene,beta-nitrosytrene,benzene, 2-nitroethenyl PubChem CID: 5284459 IUPAC Name: [(E)-2-nitroethenyl]benzene SMILES: [O-][N+](=O)\C=C\C1=CC=CC=C1
| PubChem CID | 5284459 |
|---|---|
| CAS | 5153-67-3 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00007402 |
| SMILES | [O-][N+](=O)\C=C\C1=CC=CC=C1 |
| Synonym | trans-beta-nitrostyrene,2-nitrovinyl benzene,e-2-nitrovinyl benzene,beta-nitrostyrene,2-nitro-1-phenylethylene,e-beta-nitrostyrene,2-nitroethenyl benzene,1-phenyl-2-nitroethene,beta-nitrosytrene,benzene, 2-nitroethenyl |
| IUPAC Name | [(E)-2-nitroethenyl]benzene |
| InChI Key | PIAOLBVUVDXHHL-VOTSOKGWSA-N |
| Molecular Formula | C8H7NO2 |
5-Sulfosalicylic acid dihydrate, ACS reagent
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid;dihydrate |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
4-Fluoro-alpha-methylstyrene, 95%
CAS: 350-40-3 Molecular Formula: C9H9F Molecular Weight (g/mol): 136.169 MDL Number: MFCD00042297 InChI Key: VIXHMBLBLJSGIB-UHFFFAOYSA-N Synonym: 4-fluoro-alpha-methylstyrene,1-fluoro-4-1-methylethenyl benzene,1-fluoro-4-prop-1-en-2-yl benzene,2-4-fluorophenyl-1-propene,2-4-fluorophenyl propene,benzene, 1-fluoro-4-1-methylethenyl,4-fluoro-.alpha.-methylstyrene,1-fluoro-4-isopropenyl benzene,1-fluoro-4-isopropenylbenzene,p-fluoro-.alpha.-methylstyrene PubChem CID: 67690 IUPAC Name: 1-fluoro-4-prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=C(C=C1)F
| PubChem CID | 67690 |
|---|---|
| CAS | 350-40-3 |
| Molecular Weight (g/mol) | 136.169 |
| MDL Number | MFCD00042297 |
| SMILES | CC(=C)C1=CC=C(C=C1)F |
| Synonym | 4-fluoro-alpha-methylstyrene,1-fluoro-4-1-methylethenyl benzene,1-fluoro-4-prop-1-en-2-yl benzene,2-4-fluorophenyl-1-propene,2-4-fluorophenyl propene,benzene, 1-fluoro-4-1-methylethenyl,4-fluoro-.alpha.-methylstyrene,1-fluoro-4-isopropenyl benzene,1-fluoro-4-isopropenylbenzene,p-fluoro-.alpha.-methylstyrene |
| IUPAC Name | 1-fluoro-4-prop-1-en-2-ylbenzene |
| InChI Key | VIXHMBLBLJSGIB-UHFFFAOYSA-N |
| Molecular Formula | C9H9F |
4-Chlorobenzotrifluoride, 98+%
CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl
| PubChem CID | 7394 |
|---|---|
| CAS | 98-56-6 |
| Molecular Weight (g/mol) | 180.554 |
| MDL Number | MFCD00000627 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)Cl |
| Synonym | 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene |
| IUPAC Name | 1-chloro-4-(trifluoromethyl)benzene |
| InChI Key | QULYNCCPRWKEMF-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3 |
Bromobenzene 99.0+%, TCI America™
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CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: BrC1=CC=CC=C1
| PubChem CID | 7961 |
|---|---|
| CAS | 108-86-1 |
| Molecular Weight (g/mol) | 157.01 |
| ChEBI | CHEBI:3179 |
| MDL Number | MFCD00000055 |
| SMILES | BrC1=CC=CC=C1 |
| Synonym | benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 |
| IUPAC Name | bromobenzene |
| InChI Key | QARVLSVVCXYDNA-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br |
Methyl 4-bromo-3-methylbenzoate, 97%
CAS: 148547-19-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00673014 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br
| PubChem CID | 3294148 |
|---|---|
| CAS | 148547-19-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00673014 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)Br |
| Synonym | 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 |
| IUPAC Name | methyl 4-bromo-3-methylbenzoate |
| InChI Key | GTZTYNPAPQKIIR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Diphenylacetic Acid, 99+%
CAS: 117-34-0 MDL Number: MFCD00004251 InChI Key: PYHXGXCGESYPCW-UHFFFAOYSA-N Synonym: diphenylacetic acid,diphenylethanoic acid,acetic acid, diphenyl,benzeneacetic acid, .alpha.-phenyl,1,1-diphenylacetic acid,unii-658ncz0nko,diphenyl-acetic acid,alpha-toluic acid, alpha-phenyl,658ncz0nko,benzeneacetic acid, alpha-phenyl PubChem CID: 8333 ChEBI: CHEBI:41967 IUPAC Name: 2,2-diphenylacetic acid SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
| PubChem CID | 8333 |
|---|---|
| CAS | 117-34-0 |
| ChEBI | CHEBI:41967 |
| MDL Number | MFCD00004251 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O |
| Synonym | diphenylacetic acid,diphenylethanoic acid,acetic acid, diphenyl,benzeneacetic acid, .alpha.-phenyl,1,1-diphenylacetic acid,unii-658ncz0nko,diphenyl-acetic acid,alpha-toluic acid, alpha-phenyl,658ncz0nko,benzeneacetic acid, alpha-phenyl |
| IUPAC Name | 2,2-diphenylacetic acid |
| InChI Key | PYHXGXCGESYPCW-UHFFFAOYSA-N |
Triphenylphosphine, flake, 99%
CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11776 |
|---|---|
| CAS | 603-35-0 |
| Molecular Weight (g/mol) | 262.29 |
| MDL Number | MFCD00003043 MFCD20489348 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin |
| IUPAC Name | triphenylphosphane |
| InChI Key | RIOQSEWOXXDEQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H15P |
3,5-Di(trifluoromethyl)benzoic acid, Tech., Thermo Scientific™
CAS: 725-89-3 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00000388 InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 PubChem CID: 12889 IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 12889 |
|---|---|
| CAS | 725-89-3 |
| Molecular Weight (g/mol) | 258.12 |
| MDL Number | MFCD00000388 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoic acid |
| InChI Key | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| Molecular Formula | C9H4F6O2 |
3,5-Dichlorobenzoic acid, 99%
CAS: 51-36-5 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00002494 InChI Key: CXKCZFDUOYMOOP-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dichloro,3,5-dichloro-benzoic acid,unii-7baa7r70gn,7baa7r70gn,ccris 8611,acmc-209ktc,3,5-dichlorobenzoicacid,3,5-dichlorobenzic acid,3 5-dichlorobenzoic acid,dsstox_cid_4981 PubChem CID: 5811 IUPAC Name: 3,5-dichlorobenzoic acid SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)O
| PubChem CID | 5811 |
|---|---|
| CAS | 51-36-5 |
| Molecular Weight (g/mol) | 191.007 |
| MDL Number | MFCD00002494 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(=O)O |
| Synonym | benzoic acid, 3,5-dichloro,3,5-dichloro-benzoic acid,unii-7baa7r70gn,7baa7r70gn,ccris 8611,acmc-209ktc,3,5-dichlorobenzoicacid,3,5-dichlorobenzic acid,3 5-dichlorobenzoic acid,dsstox_cid_4981 |
| IUPAC Name | 3,5-dichlorobenzoic acid |
| InChI Key | CXKCZFDUOYMOOP-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
3,4-Dichlorobenzoic acid, 99%
CAS: 51-44-5 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002492 InChI Key: VPHHJAOJUJHJKD-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-dichloro,unii-ys4zr9bxwx,3,4-dichloro-benzoic acid,ys4zr9bxwx,benzoic acid,4-dichloro,wln: qvr cg dg,pubchem3686,acmc-209kts,dsstox_cid_4980,dsstox_rid_77609 PubChem CID: 5817 ChEBI: CHEBI:49401 IUPAC Name: 3,4-dichlorobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 5817 |
|---|---|
| CAS | 51-44-5 |
| Molecular Weight (g/mol) | 191.01 |
| ChEBI | CHEBI:49401 |
| MDL Number | MFCD00002492 |
| SMILES | OC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | benzoic acid, 3,4-dichloro,unii-ys4zr9bxwx,3,4-dichloro-benzoic acid,ys4zr9bxwx,benzoic acid,4-dichloro,wln: qvr cg dg,pubchem3686,acmc-209kts,dsstox_cid_4980,dsstox_rid_77609 |
| IUPAC Name | 3,4-dichlorobenzoic acid |
| InChI Key | VPHHJAOJUJHJKD-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
Phenyl chloroformate, 99%
CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1
| PubChem CID | 15891 |
|---|---|
| CAS | 1885-14-9 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00000637 |
| SMILES | ClC(=O)OC1=CC=CC=C1 |
| Synonym | phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y |
| IUPAC Name | phenyl carbonochloridate |
| InChI Key | AHWALFGBDFAJAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Bisphenol A diglycidyl ether resin
CAS: 1675-54-3 Molecular Formula: C21H24O4 Molecular Weight (g/mol): 340.419 MDL Number: MFCD00080480 InChI Key: LCFVJGUPQDGYKZ-UHFFFAOYSA-N Synonym: bisphenol a diglycidyl ether,2,2-bis 4-glycidyloxyphenyl propane,epoxide a,epophen el 5,badge,dian diglycidyl ether,diglycidyl bisphenol a,epi-rez 510,bpdge,dgeba PubChem CID: 2286 ChEBI: CHEBI:34578 IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4
| PubChem CID | 2286 |
|---|---|
| CAS | 1675-54-3 |
| Molecular Weight (g/mol) | 340.419 |
| ChEBI | CHEBI:34578 |
| MDL Number | MFCD00080480 |
| SMILES | CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4 |
| Synonym | bisphenol a diglycidyl ether,2,2-bis 4-glycidyloxyphenyl propane,epoxide a,epophen el 5,badge,dian diglycidyl ether,diglycidyl bisphenol a,epi-rez 510,bpdge,dgeba |
| IUPAC Name | 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane |
| InChI Key | LCFVJGUPQDGYKZ-UHFFFAOYSA-N |
| Molecular Formula | C21H24O4 |
4-Nitrobenzaldehyde, 99%
CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1
| PubChem CID | 541 |
|---|---|
| CAS | 555-16-8 |
| Molecular Weight (g/mol) | 151.12 |
| ChEBI | CHEBI:66926 |
| MDL Number | MFCD00007346 |
| SMILES | [O-][N+](=O)C1=CC=C(C=O)C=C1 |
| Synonym | p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 |
| IUPAC Name | 4-nitrobenzaldehyde |
| InChI Key | BXRFQSNOROATLV-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |