Benzene and substituted derivatives
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Chlorotris(triphenylphosphine)cobalt(I), 97%
CAS: 26305-75-9 Molecular Formula: C54H45ClCoP3 Molecular Weight (g/mol): 881.26 MDL Number: MFCD00015864 InChI Key: RHNBOEDTKLKUEB-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine cobalt i,cobalt i tris triphenylphosphine chloride PubChem CID: 71431130 IUPAC Name: cobalt;triphenylphosphane;chloride SMILES: [Cl-].[Co+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 71431130 |
|---|---|
| CAS | 26305-75-9 |
| Molecular Weight (g/mol) | 881.26 |
| MDL Number | MFCD00015864 |
| SMILES | [Cl-].[Co+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chlorotris triphenylphosphine cobalt i,cobalt i tris triphenylphosphine chloride |
| IUPAC Name | cobalt;triphenylphosphane;chloride |
| InChI Key | RHNBOEDTKLKUEB-UHFFFAOYSA-M |
| Molecular Formula | C54H45ClCoP3 |
Nimesulide
CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
| PubChem CID | 4495 |
|---|---|
| CAS | 51803-78-2 |
| Molecular Weight (g/mol) | 308.308 |
| ChEBI | CHEBI:44445 |
| MDL Number | MFCD00079470 |
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| Synonym | nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish |
| IUPAC Name | N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| InChI Key | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O5S |
3,5-Diaminobenzoic acid, 96%, may contain up to 3% moisture
CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O
| PubChem CID | 12062 |
|---|---|
| CAS | 535-87-5 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007807 |
| SMILES | C1=C(C=C(C=C1N)N)C(=O)O |
| Synonym | benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid |
| IUPAC Name | 3,5-diaminobenzoic acid |
| InChI Key | UENRXLSRMCSUSN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
Bis[2-(diphenylphosphino)phenyl] Ether 98.0+%, TCI America™
CAS: 166330-10-5 Molecular Formula: C36H28OP2 Molecular Weight (g/mol): 538.57 MDL Number: MFCD00233863 InChI Key: RYXZOQOZERSHHQ-UHFFFAOYSA-N Synonym: bis 2-diphenylphosphinophenyl ether,dpephos,oxydi-2,1-phenylene bis diphenylphosphine,oxybis 2,1-phenylene bis diphenylphosphine,bis 2-diphenylphosphino phenyl ether,2,2'-bis diphenylphosphino diphenyl ether,2-2-diphenylphosphanyl phenoxy phenyl diphenylphosphane PubChem CID: 4285986 IUPAC Name: {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane SMILES: O(C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 4285986 |
|---|---|
| CAS | 166330-10-5 |
| Molecular Weight (g/mol) | 538.57 |
| MDL Number | MFCD00233863 |
| SMILES | O(C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | bis 2-diphenylphosphinophenyl ether,dpephos,oxydi-2,1-phenylene bis diphenylphosphine,oxybis 2,1-phenylene bis diphenylphosphine,bis 2-diphenylphosphino phenyl ether,2,2'-bis diphenylphosphino diphenyl ether,2-2-diphenylphosphanyl phenoxy phenyl diphenylphosphane |
| IUPAC Name | {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane |
| InChI Key | RYXZOQOZERSHHQ-UHFFFAOYSA-N |
| Molecular Formula | C36H28OP2 |
N-Nitrosodiphenylamine 98.0+%, TCI America™
CAS: 86-30-6 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00019920 InChI Key: UBUCNCOMADRQHX-UHFFFAOYSA-N Synonym: n-nitrosodiphenylamine,diphenylnitrosamine,nitrosodiphenylamine,vultrol,benzenamine, n-nitroso-n-phenyl,redax,vulcatard a,retarder j,n-nitroso-n-phenylaniline,ortard PubChem CID: 6838 ChEBI: CHEBI:34875 IUPAC Name: N-nitroso-N-phenylaniline SMILES: O=NN(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 6838 |
|---|---|
| CAS | 86-30-6 |
| Molecular Weight (g/mol) | 198.23 |
| ChEBI | CHEBI:34875 |
| MDL Number | MFCD00019920 |
| SMILES | O=NN(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | n-nitrosodiphenylamine,diphenylnitrosamine,nitrosodiphenylamine,vultrol,benzenamine, n-nitroso-n-phenyl,redax,vulcatard a,retarder j,n-nitroso-n-phenylaniline,ortard |
| IUPAC Name | N-nitroso-N-phenylaniline |
| InChI Key | UBUCNCOMADRQHX-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O |
alpha-Methylstyrene, 99%, stabilized
CAS: 98-83-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008859 InChI Key: XYLMUPLGERFSHI-UHFFFAOYSA-N Synonym: alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene PubChem CID: 7407 ChEBI: CHEBI:35060 IUPAC Name: prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=CC=C1
| PubChem CID | 7407 |
|---|---|
| CAS | 98-83-9 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:35060 |
| MDL Number | MFCD00008859 |
| SMILES | CC(=C)C1=CC=CC=C1 |
| Synonym | alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene |
| IUPAC Name | prop-1-en-2-ylbenzene |
| InChI Key | XYLMUPLGERFSHI-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |
Bezafibrate, 98+%
CAS: 41859-67-0 Molecular Formula: C19H20ClNO4 Molecular Weight (g/mol): 361.82 MDL Number: MFCD00078970 InChI Key: IIBYAHWJQTYFKB-UHFFFAOYSA-N Synonym: bezafibrate,bezalip,cedur,bezafibrat,befizal,bezafibrato,bezafibratum,sklerofibrat,azufibrat,difaterol PubChem CID: 39042 ChEBI: CHEBI:47612 IUPAC Name: 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid SMILES: CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
| PubChem CID | 39042 |
|---|---|
| CAS | 41859-67-0 |
| Molecular Weight (g/mol) | 361.82 |
| ChEBI | CHEBI:47612 |
| MDL Number | MFCD00078970 |
| SMILES | CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O |
| Synonym | bezafibrate,bezalip,cedur,bezafibrat,befizal,bezafibrato,bezafibratum,sklerofibrat,azufibrat,difaterol |
| IUPAC Name | 2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid |
| InChI Key | IIBYAHWJQTYFKB-UHFFFAOYSA-N |
| Molecular Formula | C19H20ClNO4 |
Methyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7456 |
|---|---|
| CAS | 99-76-3 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:31835 |
| MDL Number | MFCD00002352 |
| SMILES | COC(=O)C1=CC=C(C=C1)O |
| Synonym | methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m |
| IUPAC Name | methyl 4-hydroxybenzoate |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Methyl vanillate, 99%
CAS: 3943-74-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00008438 InChI Key: BVWTXUYLKBHMOX-UHFFFAOYSA-N Synonym: methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx PubChem CID: 19844 ChEBI: CHEBI:46477 IUPAC Name: methyl 4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)OC)O
| PubChem CID | 19844 |
|---|---|
| CAS | 3943-74-6 |
| Molecular Weight (g/mol) | 182.175 |
| ChEBI | CHEBI:46477 |
| MDL Number | MFCD00008438 |
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)O |
| Synonym | methyl vanillate,methyl 3-methoxy-4-hydroxybenzoate,vanillic acid, methyl ester,4-hydroxy-3-methoxybenzoic acid methyl ester,methylvanillate,benzoic acid, 4-hydroxy-3-methoxy-, methyl ester,vanillic acid methyl ester,unii-2hxg8qso3d,2hxg8qso3d,vxx |
| IUPAC Name | methyl 4-hydroxy-3-methoxybenzoate |
| InChI Key | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Benzotrifluoride, 99%
CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 7368 |
|---|---|
| CAS | 98-08-8 |
| Molecular Weight (g/mol) | 146.112 |
| ChEBI | CHEBI:36810 |
| MDL Number | MFCD00000372 |
| SMILES | C1=CC=C(C=C1)C(F)(F)F |
| Synonym | benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene |
| IUPAC Name | trifluoromethylbenzene |
| InChI Key | GETTZEONDQJALK-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3 |
4-Hydroxy-4'-nitrostilbene, 98%
CAS: 19221-08-0 Molecular Formula: C14H11NO3 Molecular Weight (g/mol): 241.246 MDL Number: MFCD00017044 InChI Key: OETQWIHJPIESQB-OWOJBTEDSA-N Synonym: 4-hydroxy-4'-nitrostilbene,4-4-nitrostyryl phenol,4-e-2-4-nitrophenyl ethenyl phenol,4-hydroxy-4/'-nitrostilbene,4-1e-2-4-nitrophenyl vinyl phenol,4'-nitrostilben-4-ol,cambridge id 5309411,e-4'-nitrostilbene-4-ol,e-4-4-nitrostyryl phenol PubChem CID: 759250 IUPAC Name: 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)[N+](=O)[O-]
| PubChem CID | 759250 |
|---|---|
| CAS | 19221-08-0 |
| Molecular Weight (g/mol) | 241.246 |
| MDL Number | MFCD00017044 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)[N+](=O)[O-] |
| Synonym | 4-hydroxy-4'-nitrostilbene,4-4-nitrostyryl phenol,4-e-2-4-nitrophenyl ethenyl phenol,4-hydroxy-4/'-nitrostilbene,4-1e-2-4-nitrophenyl vinyl phenol,4'-nitrostilben-4-ol,cambridge id 5309411,e-4'-nitrostilbene-4-ol,e-4-4-nitrostyryl phenol |
| IUPAC Name | 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol |
| InChI Key | OETQWIHJPIESQB-OWOJBTEDSA-N |
| Molecular Formula | C14H11NO3 |
Dibenzoyl peroxide, 75%, remainder water
CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
| PubChem CID | 7187 |
|---|---|
| CAS | 94-36-0 |
| Molecular Weight (g/mol) | 242.23 |
| ChEBI | CHEBI:82405 |
| MDL Number | MFCD00003071 |
| SMILES | C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2 |
| Synonym | benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide |
| IUPAC Name | benzoyl benzenecarboperoxoate |
| InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
(Carbethoxymethylene)triphenylphosphorane, 98+%
CAS: 1099-45-2 Molecular Formula: C22H21O2P Molecular Weight (g/mol): 348.38 MDL Number: MFCD00009183 InChI Key: IIHPVYJPDKJYOU-UHFFFAOYSA-N Synonym: carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane PubChem CID: 70670 IUPAC Name: ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70670 |
|---|---|
| CAS | 1099-45-2 |
| Molecular Weight (g/mol) | 348.38 |
| MDL Number | MFCD00009183 |
| SMILES | CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane |
| IUPAC Name | ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate |
| InChI Key | IIHPVYJPDKJYOU-UHFFFAOYSA-N |
| Molecular Formula | C22H21O2P |
Thermo Scientific Chemicals p-Terphenyl, 99+%, pure
CAS: 92-94-4 Molecular Formula: C18H14 Molecular Weight (g/mol): 230.31 MDL Number: MFCD00003061 InChI Key: XJKSTNDFUHDPQJ-UHFFFAOYSA-N Synonym: p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin PubChem CID: 7115 ChEBI: CHEBI:52242 IUPAC Name: 1,4-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
| PubChem CID | 7115 |
|---|---|
| CAS | 92-94-4 |
| Molecular Weight (g/mol) | 230.31 |
| ChEBI | CHEBI:52242 |
| MDL Number | MFCD00003061 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3 |
| Synonym | p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin |
| IUPAC Name | 1,4-diphenylbenzene |
| InChI Key | XJKSTNDFUHDPQJ-UHFFFAOYSA-N |
| Molecular Formula | C18H14 |
2-Chlorobenzylamine, 96%
CAS: 89-97-4 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008108 InChI Key: KDDNKZCVYQDGKE-UHFFFAOYSA-N Synonym: 2-chlorobenzylamine,2-chlorophenyl methanamine,o-chlorobenzylamine,benzenemethanamine, 2-chloro,o-chlorobenzyl amine,2-chlorobenzenemethanamine,2-chloro-benzylamine,benzylamine, o-chloro,2-chlorophenyl methylamine,unii-l790j4y7a3 PubChem CID: 66648 IUPAC Name: (2-chlorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)Cl
| PubChem CID | 66648 |
|---|---|
| CAS | 89-97-4 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00008108 |
| SMILES | C1=CC=C(C(=C1)CN)Cl |
| Synonym | 2-chlorobenzylamine,2-chlorophenyl methanamine,o-chlorobenzylamine,benzenemethanamine, 2-chloro,o-chlorobenzyl amine,2-chlorobenzenemethanamine,2-chloro-benzylamine,benzylamine, o-chloro,2-chlorophenyl methylamine,unii-l790j4y7a3 |
| IUPAC Name | (2-chlorophenyl)methanamine |
| InChI Key | KDDNKZCVYQDGKE-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |