Benzene and substituted derivatives
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Octocrylene, 95%, Spectrum™ Chemical
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CAS: 6197-30-4 Molecular Formula: C24H27NO2 Molecular Weight (g/mol): 361.49 MDL Number: MFCD00059260 InChI Key: FMJSMJQBSVNSBF-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 6197-30-4 |
|---|---|
| Molecular Weight (g/mol) | 361.49 |
| MDL Number | MFCD00059260 |
| SMILES | CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate |
| InChI Key | FMJSMJQBSVNSBF-UHFFFAOYNA-N |
| Molecular Formula | C24H27NO2 |
4,4'-Dimethoxybenzhydrol, 98+%
CAS: 728-87-0 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00008410 InChI Key: ZODAOVNETBTTJX-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzhydrol,bis 4-methoxyphenyl methanol,p,p'-dimethoxybenzhydryl alcohol,p,p'-dimethoxybenzhydrol,bis p-methoxyphenyl carbinol,benzenemethanol, 4-methoxy-.alpha.-4-methoxyphenyl,4-methoxy-4'-methoxybenzhydrol,bis 4-methoxyphenyl methan-1-ol,benzhydrol, 4,4'-dimethoxy,acmc-209ooh PubChem CID: 69768 IUPAC Name: bis(4-methoxyphenyl)methanol SMILES: COC1=CC=C(C=C1)C(O)C1=CC=C(OC)C=C1
| PubChem CID | 69768 |
|---|---|
| CAS | 728-87-0 |
| Molecular Weight (g/mol) | 244.29 |
| MDL Number | MFCD00008410 |
| SMILES | COC1=CC=C(C=C1)C(O)C1=CC=C(OC)C=C1 |
| Synonym | 4,4'-dimethoxybenzhydrol,bis 4-methoxyphenyl methanol,p,p'-dimethoxybenzhydryl alcohol,p,p'-dimethoxybenzhydrol,bis p-methoxyphenyl carbinol,benzenemethanol, 4-methoxy-.alpha.-4-methoxyphenyl,4-methoxy-4'-methoxybenzhydrol,bis 4-methoxyphenyl methan-1-ol,benzhydrol, 4,4'-dimethoxy,acmc-209ooh |
| IUPAC Name | bis(4-methoxyphenyl)methanol |
| InChI Key | ZODAOVNETBTTJX-UHFFFAOYSA-N |
| Molecular Formula | C15H16O3 |
1-Benzhydrylpiperazine, 97%
CAS: 841-77-0 Molecular Formula: C17H20N2 Molecular Weight (g/mol): 252.361 MDL Number: MFCD00038379 InChI Key: NWVNXDKZIQLBNM-UHFFFAOYSA-N Synonym: 1-diphenylmethyl piperazine,benzhydrylpiperazine,n-benzhydrylpiperazine,1-benzhydryl-piperazine,diphenylmethylpiperazine,norcyclizine,normethylcyclizine,piperazine, 1-diphenylmethyl,4-benzhydrylpiperazine,n-diphenylmethyl piperazine PubChem CID: 70048 IUPAC Name: 1-benzhydrylpiperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 70048 |
|---|---|
| CAS | 841-77-0 |
| Molecular Weight (g/mol) | 252.361 |
| MDL Number | MFCD00038379 |
| SMILES | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | 1-diphenylmethyl piperazine,benzhydrylpiperazine,n-benzhydrylpiperazine,1-benzhydryl-piperazine,diphenylmethylpiperazine,norcyclizine,normethylcyclizine,piperazine, 1-diphenylmethyl,4-benzhydrylpiperazine,n-diphenylmethyl piperazine |
| IUPAC Name | 1-benzhydrylpiperazine |
| InChI Key | NWVNXDKZIQLBNM-UHFFFAOYSA-N |
| Molecular Formula | C17H20N2 |
Thermo Scientific Chemicals alpha,alpha-Diphenylglycine, 98%
CAS: 3060-50-2 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.26 MDL Number: MFCD00008048 InChI Key: YBONNYNNFBAKLI-UHFFFAOYSA-N Synonym: 2,2-diphenylglycine,alpha,alpha-diphenylglycine,alpha-aminodiphenylacetic acid,glycine, 2,2-diphenyl,alpha-amino-alpha-phenylbenzeneacetic acid,.alpha.-aminodiphenylacetic acid,.alpha.,.alpha.-diphenylglycine,benzeneacetic acid, .alpha.-amino-.alpha.-phenyl,aminodiphenylacetic acid,phenytoin impurity c PubChem CID: 18289 IUPAC Name: 2-amino-2,2-diphenylacetic acid SMILES: NC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 18289 |
|---|---|
| CAS | 3060-50-2 |
| Molecular Weight (g/mol) | 227.26 |
| MDL Number | MFCD00008048 |
| SMILES | NC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,2-diphenylglycine,alpha,alpha-diphenylglycine,alpha-aminodiphenylacetic acid,glycine, 2,2-diphenyl,alpha-amino-alpha-phenylbenzeneacetic acid,.alpha.-aminodiphenylacetic acid,.alpha.,.alpha.-diphenylglycine,benzeneacetic acid, .alpha.-amino-.alpha.-phenyl,aminodiphenylacetic acid,phenytoin impurity c |
| IUPAC Name | 2-amino-2,2-diphenylacetic acid |
| InChI Key | YBONNYNNFBAKLI-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO2 |
4-(Trifluoromethyl)benzhydrol, 97%
CAS: 395-23-3 Molecular Formula: C14H11F3O Molecular Weight (g/mol): 252.236 MDL Number: MFCD00014399 InChI Key: LIZDGCXCDJOWBS-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzhydrol,phenyl 4-trifluoromethyl phenyl methanol,benzhydrol, 4-trifluoromethyl-,,phenyl-4-trifluoromethyl phenyl methanol,phenyl 4-trifluoromethyl phenyl methan-1-ol,phenyl-4-trifluoromethyl-phenyl,acmc-20amtp,4-trifluoromethylbenzhydrol,4-trifluoromethylphenyl phenyl methanol PubChem CID: 258897 IUPAC Name: phenyl-[4-(trifluoromethyl)phenyl]methanol SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)O
| PubChem CID | 258897 |
|---|---|
| CAS | 395-23-3 |
| Molecular Weight (g/mol) | 252.236 |
| MDL Number | MFCD00014399 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)O |
| Synonym | 4-trifluoromethyl benzhydrol,phenyl 4-trifluoromethyl phenyl methanol,benzhydrol, 4-trifluoromethyl-,,phenyl-4-trifluoromethyl phenyl methanol,phenyl 4-trifluoromethyl phenyl methan-1-ol,phenyl-4-trifluoromethyl-phenyl,acmc-20amtp,4-trifluoromethylbenzhydrol,4-trifluoromethylphenyl phenyl methanol |
| IUPAC Name | phenyl-[4-(trifluoromethyl)phenyl]methanol |
| InChI Key | LIZDGCXCDJOWBS-UHFFFAOYSA-N |
| Molecular Formula | C14H11F3O |
3,3',4',5-Tetrachlorosalicylanilide, 97%
CAS: 1154-59-2 Molecular Formula: C13H7Cl4NO2 Molecular Weight (g/mol): 351.01 MDL Number: MFCD00041745 InChI Key: SJQBHPJLLIJASD-UHFFFAOYSA-N Synonym: tcsa,3,3',4',5-tetrachlorosalicylanilide,3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxybenzamide,3,5,3',4'-tetrachlorosalicylanilide,irgasan bs-200,3,5-dichlorosalicyl 3,4-dichloroanilide,caswell no. 833,3,5-dichlorosalicyl-3,4-dichloroanilide,benzamide, 3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxy,unii-hne676755i PubChem CID: 14385 ChEBI: CHEBI:188648 IUPAC Name: 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide SMILES: C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)Cl)Cl)Cl)Cl
| PubChem CID | 14385 |
|---|---|
| CAS | 1154-59-2 |
| Molecular Weight (g/mol) | 351.01 |
| ChEBI | CHEBI:188648 |
| MDL Number | MFCD00041745 |
| SMILES | C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)Cl)Cl)Cl)Cl |
| Synonym | tcsa,3,3',4',5-tetrachlorosalicylanilide,3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxybenzamide,3,5,3',4'-tetrachlorosalicylanilide,irgasan bs-200,3,5-dichlorosalicyl 3,4-dichloroanilide,caswell no. 833,3,5-dichlorosalicyl-3,4-dichloroanilide,benzamide, 3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxy,unii-hne676755i |
| IUPAC Name | 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide |
| InChI Key | SJQBHPJLLIJASD-UHFFFAOYSA-N |
| Molecular Formula | C13H7Cl4NO2 |
Methyl 2,5-dichlorobenzoate, 99%
CAS: 2905-69-3 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00000606 InChI Key: SPJQBGGHUDNAIC-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate PubChem CID: 17947 IUPAC Name: methyl 2,5-dichlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC=C1Cl
| PubChem CID | 17947 |
|---|---|
| CAS | 2905-69-3 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD00000606 |
| SMILES | COC(=O)C1=CC(Cl)=CC=C1Cl |
| Synonym | 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate |
| IUPAC Name | methyl 2,5-dichlorobenzoate |
| InChI Key | SPJQBGGHUDNAIC-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
4-Fluoro-3-(methylcarbamoyl)benzeneboronic acid, 96%
CAS: 874219-19-9 Molecular Formula: C8H9BFNO3 Molecular Weight (g/mol): 196.97 MDL Number: MFCD08235038 InChI Key: DVDSMLPVTUSIFM-UHFFFAOYSA-N Synonym: 4-fluoro-3-methylcarbamoyl phenyl boronic acid,4-fluoro-3-methylcarbamoyl phenylboronic acid,4-fluoro-3-methylcarbamoyl benzeneboronic acid,acmc-209qkk,n-methyl 5-borono-2-fluorobenzamide,4-fluoro-3-methylcarbamoyl phenyl boronicacid,4-fluoro-3-methyl carbamoyl phenylboronic acid,4-fluoranyl-3-methylcarbamoyl phenyl boronic acid,boronic acid, 4-fluoro-3-methylamino carbonyl phenyl PubChem CID: 44717580 IUPAC Name: [4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid SMILES: CNC(=O)C1=C(F)C=CC(=C1)B(O)O
| PubChem CID | 44717580 |
|---|---|
| CAS | 874219-19-9 |
| Molecular Weight (g/mol) | 196.97 |
| MDL Number | MFCD08235038 |
| SMILES | CNC(=O)C1=C(F)C=CC(=C1)B(O)O |
| Synonym | 4-fluoro-3-methylcarbamoyl phenyl boronic acid,4-fluoro-3-methylcarbamoyl phenylboronic acid,4-fluoro-3-methylcarbamoyl benzeneboronic acid,acmc-209qkk,n-methyl 5-borono-2-fluorobenzamide,4-fluoro-3-methylcarbamoyl phenyl boronicacid,4-fluoro-3-methyl carbamoyl phenylboronic acid,4-fluoranyl-3-methylcarbamoyl phenyl boronic acid,boronic acid, 4-fluoro-3-methylamino carbonyl phenyl |
| IUPAC Name | [4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid |
| InChI Key | DVDSMLPVTUSIFM-UHFFFAOYSA-N |
| Molecular Formula | C8H9BFNO3 |
Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
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CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O
| CAS | 54-21-7 |
|---|---|
| Molecular Weight (g/mol) | 160.10 |
| SMILES | [Na+].OC1=CC=CC=C1C([O-])=O |
| IUPAC Name | sodium 2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
2-Bromobenzamide, 98%
CAS: 4001-73-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007969 InChI Key: NHNAEZDWNCRWRW-UHFFFAOYSA-N Synonym: benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x PubChem CID: 77616 IUPAC Name: 2-bromobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)Br
| PubChem CID | 77616 |
|---|---|
| CAS | 4001-73-4 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00007969 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)Br |
| Synonym | benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x |
| IUPAC Name | 2-bromobenzamide |
| InChI Key | NHNAEZDWNCRWRW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
4-Bromo-2-fluorobenzamide, 96%
CAS: 292621-45-5 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD03094432 InChI Key: MJDRFCPNHLHNON-UHFFFAOYSA-N Synonym: acmc-209h7t,4-bromo-2-fluoro-benzamide,benzamide,4-bromo-2-fluoro,benzamide, 4-bromo-2-fluoro PubChem CID: 2773331 IUPAC Name: 4-bromo-2-fluorobenzamide SMILES: C1=CC(=C(C=C1Br)F)C(=O)N
| PubChem CID | 2773331 |
|---|---|
| CAS | 292621-45-5 |
| Molecular Weight (g/mol) | 218.025 |
| MDL Number | MFCD03094432 |
| SMILES | C1=CC(=C(C=C1Br)F)C(=O)N |
| Synonym | acmc-209h7t,4-bromo-2-fluoro-benzamide,benzamide,4-bromo-2-fluoro,benzamide, 4-bromo-2-fluoro |
| IUPAC Name | 4-bromo-2-fluorobenzamide |
| InChI Key | MJDRFCPNHLHNON-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrFNO |
Ethyl 2-amino-5-iodobenzoate, 98+%
CAS: 268568-11-2 Molecular Formula: C9H10INO2 Molecular Weight (g/mol): 291.09 MDL Number: MFCD04038940 InChI Key: FPCLHSGOJPEKKE-UHFFFAOYSA-N Synonym: ethyl2-amino-5-iodobenzoate,2-amino-5-iodobenzoic acid ethyl ester,2-amino-5-iodo-benzoic acid ethyl ester,acmc-1cksm,ethyl 2-amino-5-iodo-benzoate,ethyl 5-iodoanthranilate PubChem CID: 12012179 IUPAC Name: ethyl 2-amino-5-iodobenzoate SMILES: CCOC(=O)C1=C(N)C=CC(I)=C1
| PubChem CID | 12012179 |
|---|---|
| CAS | 268568-11-2 |
| Molecular Weight (g/mol) | 291.09 |
| MDL Number | MFCD04038940 |
| SMILES | CCOC(=O)C1=C(N)C=CC(I)=C1 |
| Synonym | ethyl2-amino-5-iodobenzoate,2-amino-5-iodobenzoic acid ethyl ester,2-amino-5-iodo-benzoic acid ethyl ester,acmc-1cksm,ethyl 2-amino-5-iodo-benzoate,ethyl 5-iodoanthranilate |
| IUPAC Name | ethyl 2-amino-5-iodobenzoate |
| InChI Key | FPCLHSGOJPEKKE-UHFFFAOYSA-N |
| Molecular Formula | C9H10INO2 |
Methyl 3-amino-5-fluorobenzoate, 98%
CAS: 884497-46-5 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD05863683 InChI Key: YKEJVXMOMKWEPV-UHFFFAOYSA-N Synonym: methyl3-amino-5-fluorobenzoate,methyl 5-amino-3-fluorobenzoate,5-amino-3-fluorobenzoic acid methyl ester,3-amino-5-fluoro-benzoic acid methyl ester PubChem CID: 3807862 IUPAC Name: methyl 3-amino-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)F)N
| PubChem CID | 3807862 |
|---|---|
| CAS | 884497-46-5 |
| Molecular Weight (g/mol) | 169.155 |
| MDL Number | MFCD05863683 |
| SMILES | COC(=O)C1=CC(=CC(=C1)F)N |
| Synonym | methyl3-amino-5-fluorobenzoate,methyl 5-amino-3-fluorobenzoate,5-amino-3-fluorobenzoic acid methyl ester,3-amino-5-fluoro-benzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-5-fluorobenzoate |
| InChI Key | YKEJVXMOMKWEPV-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |
Sodium 4-aminosalicylate dihydrate, 98%
CAS: 6018-19-5 Molecular Formula: C7H10NNaO5 Molecular Weight (g/mol): 211.149 MDL Number: MFCD00151044 InChI Key: GMUQJDAYXZXBOT-UHFFFAOYSA-M Synonym: sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp PubChem CID: 16211148 IUPAC Name: sodium;4-amino-2-hydroxybenzoate;dihydrate SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]
| PubChem CID | 16211148 |
|---|---|
| CAS | 6018-19-5 |
| Molecular Weight (g/mol) | 211.149 |
| MDL Number | MFCD00151044 |
| SMILES | C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+] |
| Synonym | sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp |
| IUPAC Name | sodium;4-amino-2-hydroxybenzoate;dihydrate |
| InChI Key | GMUQJDAYXZXBOT-UHFFFAOYSA-M |
| Molecular Formula | C7H10NNaO5 |
Methyl 2-amino-4-fluorobenzoate, 97%, Thermo Scientific Chemicals
CAS: 2475-81-2 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.16 MDL Number: MFCD11054082 InChI Key: UBFRSTYHLYPSND-UHFFFAOYSA-N Synonym: methyl2-amino-4-fluorobenzoate,2-amino-4-fluoro-benzoic acid methyl ester,benzoic acid, 2-amino-4-fluoro-, methyl ester,acmc-209gej,intermediates-zcf02666,methyl 4-fluoroanthranilate,2-amino-4-fluorobenzoic acid methyl ester PubChem CID: 14075433 IUPAC Name: methyl 2-amino-4-fluorobenzoate SMILES: COC(=O)C1=C(N)C=C(F)C=C1
| PubChem CID | 14075433 |
|---|---|
| CAS | 2475-81-2 |
| Molecular Weight (g/mol) | 169.16 |
| MDL Number | MFCD11054082 |
| SMILES | COC(=O)C1=C(N)C=C(F)C=C1 |
| Synonym | methyl2-amino-4-fluorobenzoate,2-amino-4-fluoro-benzoic acid methyl ester,benzoic acid, 2-amino-4-fluoro-, methyl ester,acmc-209gej,intermediates-zcf02666,methyl 4-fluoroanthranilate,2-amino-4-fluorobenzoic acid methyl ester |
| IUPAC Name | methyl 2-amino-4-fluorobenzoate |
| InChI Key | UBFRSTYHLYPSND-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |