Benzene and substituted derivatives
Leucovorin Calcium, USP, 95-105%, Spectrum™ Chemical
CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L IUPAC Name: calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
N-α-Benzoyl-L-Arginine p-Nitroanilide Hydrochloride, MP Biomedicals™
CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
Hippuric acid, 98%
CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 SMILES: OC(=O)CNC(=O)C1=CC=CC=C1
Folinic acid, calcium salt pentahydrate, 95.0-105.0%
CAS: 6035-45-6 Molecular Formula: C20H21CaN7O7·5H2O Molecular Weight (g/mol): 601.58 MDL Number: MFCD00149465 InChI Key: NPPBLUASYYNAIG-UHFFFAOYSA-L Synonym: folinic acid calcium pentahydrate PubChem CID: 131674093 IUPAC Name: calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate SMILES: C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]
Folinic acid, calcium salt, 99.4%, MP Biomedicals™
CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
3-Iodophenylacetonitrile, 97%
CAS: 130723-54-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.05 MDL Number: MFCD00040890 InChI Key: LVOKGAHCTHNWIL-UHFFFAOYSA-N Synonym: 3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo PubChem CID: 2759368 IUPAC Name: 2-(3-iodophenyl)acetonitrile SMILES: IC1=CC=CC(CC#N)=C1
Benzyl bromide, 98%
CAS: 100-39-0 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr
3-chloro-5-fluorobenzyl Bromide, 97%, Thermo Scientific™
CAS: 493024-39-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD03788472 InChI Key: PKSAHOPFPPAUOD-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene PubChem CID: 2734834 IUPAC Name: 1-(bromomethyl)-3-chloro-5-fluorobenzene SMILES: FC1=CC(Cl)=CC(CBr)=C1
tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate, 97%
CAS: 114772-40-6 Molecular Formula: C18H19BrO2 Molecular Weight (g/mol): 347.252 MDL Number: MFCD06657561 InChI Key: YHXCWNQNVMAENQ-UHFFFAOYSA-N Synonym: 2-boc-4'-bromomethyl biphenyl,tert-butyl 4'-bromomethyl biphenyl-2-carboxylate,tert-butyl 2-4-bromomethyl phenyl benzoate,tert-butyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate,unii-me3i28o0tc,tert-butyl 4'-bromomethyl-2-biphenylcarboxylate,me3i28o0tc,telmisartan impurity h,tert-butyl 2-4-bromomethylphenyl benzoate,1,1-dimethylethyl 4'-bromomethyl biphenyl-2-carboxylate PubChem CID: 9906257 IUPAC Name: tert-butyl 2-[4-(bromomethyl)phenyl]benzoate SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
alpha-Bromo-p-xylene, 98%
CAS: 104-81-4 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.06 MDL Number: MFCD00000181 InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N Synonym: 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene PubChem CID: 7721 IUPAC Name: 1-(bromomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CBr
Triethyl orthobenzoate, 97%
CAS: 1663-61-2 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00009222 InChI Key: BQFPCTXLBRVFJL-UHFFFAOYSA-N Synonym: triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane PubChem CID: 74268 IUPAC Name: triethoxymethylbenzene SMILES: CCOC(C1=CC=CC=C1)(OCC)OCC
Sulfanilic Acid, Anhydrous, ACS, 98-102%, Spectrum™ Chemical
CAS: 121-57-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.19 InChI Key: HVBSAKJJOYLTQU-UHFFFAOYSA-N IUPAC Name: 4-aminobenzene-1-sulfonic acid SMILES: NC1=CC=C(C=C1)S(O)(=O)=O
4-Chlorobenzotrifluoride, 98%
CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.56 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
![5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole, 95%](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-2251-79-8.jpg-250.jpg)
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole, 95%
CAS: 2251-79-8 Molecular Formula: C8H5F3N4 Molecular Weight (g/mol): 214.151 MDL Number: MFCD00052525 InChI Key: CCVCHQBLMDMSNN-UHFFFAOYSA-N Synonym: 5-4-trifluoromethyl phenyl-1h-tetrazole,5-4-trifluoromethyl phenyl-2h-tetrazole,5-4-trifluoromethyl phenyl-2h-1,2,3,4-tetrazole,2h-tetrazole,5-4-trifluoromethyl phenyl,5-4-trifluoromethyl phenyl-1h-1,2,3,4-tetrazole,5-4-trifluoromethyl phenyl-2h-1,2,3,4-tetraazole,maybridge1_007473,acmc-1cqc2 PubChem CID: 342565 IUPAC Name: 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole SMILES: C1=CC(=CC=C1C2=NNN=N2)C(F)(F)F
2-Cyano-4-(trifluoromethyl)benzeneboronic acid, 95%
CAS: 1218790-84-1 Molecular Formula: C8H5BF3NO2 Molecular Weight (g/mol): 214.938 InChI Key: DELAZGQTKSRLPA-UHFFFAOYSA-N Synonym: 2-cyano-4-trifluoromethyl phenylboronic acid,2-cyano-4-trifluoromethyl phenyl boronic acid,acmc-209ail,2-cyano-4-trifluoromethyl phenyl boronicacid PubChem CID: 53216599 IUPAC Name: [2-cyano-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C#N)(O)O