Benzenoids
Homovanillic acid, 98%
CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O
2,4-Dimethylbenzaldehyde, 99%
CAS: 15764-16-6 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003340 InChI Key: GISVICWQYMUPJF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dimethyl,2,4-dimethyl benzaldehyde,2,4-xylylaldehyde,2,4-dimethylbenzenecarboxaldehyde,unii-i06yu18h4a,1-formyl-2,4-dimethylbenzene,2,4-dimethyl-benzaldehyde,m-xylylaldehyde,fema no. 3427,2,4-trimethyl benzaldehyde PubChem CID: 61814 IUPAC Name: 2,4-dimethylbenzaldehyde SMILES: CC1=CC(=C(C=C1)C=O)C
4-Bromo-3-methylaniline, 97%, Thermo Scientific™
CAS: 6933-10-4 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007828
Thermo Scientific Chemicals Calconcarboxylic acid, indicator grade
CAS: 3737-95-9 Molecular Formula: C21H14N2O7S Molecular Weight (g/mol): 438.4 MDL Number: MFCD00004078 InChI Key: ULIVOAKVRBXKKS-PYCFMQQDSA-N Synonym: calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn PubChem CID: 5895210 IUPAC Name: 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
4-Aminohippuric acid, 99%
CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N
Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™
CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Cumene, 99%, pure
CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1
4-(4-Methoxyphenyl)butyric acid, 98%
CAS: 4521-28-2 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00004404 InChI Key: LZHMNCJMXQKSBY-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid PubChem CID: 78280 IUPAC Name: 4-(4-methoxyphenyl)butanoic acid SMILES: COC1=CC=C(C=C1)CCCC(=O)O
2-Methyl-3-nitrobenzyl chloride, 97%, Thermo Scientific™
CAS: 60468-54-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007165 InChI Key: XZNDXQGZPOZITR-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene PubChem CID: 108947 IUPAC Name: 1-(chloromethyl)-2-methyl-3-nitrobenzene SMILES: CC1=C(CCl)C=CC=C1[N+]([O-])=O
Tris(triphenylphosphine)rhodium(I) chloride, 98%
CAS: 14694-95-2 Molecular Formula: C54H45ClP3Rh Molecular Weight (g/mol): 925.23 MDL Number: MFCD00010016 InChI Key: IXAYKDDZKIZSPV-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride PubChem CID: 84599 SMILES: [Cl-].[Rh+].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
3-Amino-4-hydroxybenzoic acid, 98%
CAS: 1571-72-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007697 InChI Key: MRBKRZAPGUCWOS-UHFFFAOYSA-N Synonym: benzoic acid, 3-amino-4-hydroxy,cheetan,3,4-ahba,3-amino-4-hydroxy-benzoic acid,5-amino saliciylic acid,3-amino-4-hydroxy benzoic acid,3-amino-4-hydroxybenzoic acid hydrochloride,3-amino-4-hydroxybenzoicacid,5-amino saliciylic acid 5-asa,pubchem20504 PubChem CID: 65083 ChEBI: CHEBI:29476 IUPAC Name: 3-amino-4-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)O
1-Bromo-3,4-dichlorobenzene, 98+%
CAS: 18282-59-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.89 MDL Number: MFCD00040849 InChI Key: CFPZDVAZISWERM-UHFFFAOYSA-N Synonym: 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene PubChem CID: 29013 IUPAC Name: 4-bromo-1,2-dichlorobenzene SMILES: ClC1=CC=C(Br)C=C1Cl
2,4-Bis(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™
CAS: 32890-87-2 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00042496 InChI Key: JTOIZLCQNWWDCN-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzoic acid,2,4-bis-trifluoromethylbenzoic acid,2,4-di trifluoromethyl benzoic acid,benzoic acid, 2,4-bis trifluoromethyl,2,4-bis-trifluoromethyl-benzoic acid,maybridge4_003283,acmc-20aoeb,pubchem8491,rarechem al bo 0512 PubChem CID: 141752 IUPAC Name: 2,4-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O
Tris(pentafluorophenyl)phosphine, 97%
CAS: 1259-35-4 Molecular Formula: C18F15P Molecular Weight (g/mol): 532.15 MDL Number: MFCD00079654 InChI Key: FQLSDFNKTNBQLC-UHFFFAOYSA-N Synonym: tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane PubChem CID: 102076 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)phosphane SMILES: FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
Methyl 2-chloro-4-fluorophenylacetate, 98%
CAS: 214262-88-1 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00800611 InChI Key: DFTYYBRLWCAUHP-UHFFFAOYSA-N Synonym: methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 PubChem CID: 736123 IUPAC Name: methyl 2-(2-chloro-4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(F)C=C1Cl