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Benzoxazoles

Organic heterocyclic compounds that consist of benzene fused with an oxazoles; oxazoles are azoles with an oxygen atom and a nitrogen atom separated by one carbon.

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1

2-(2,2-Diphenylcyclopropyl)-1H-imidazole, TRC

CAS: 85589-36-2 Molecular Formula: C18H16N2 Molecular Weight (g/mol): 260.33 SMILES: C1C(c2ncc[nH]2)C1(c3ccccc3)c4ccccc4

CAS 85589-36-2
Molecular Weight (g/mol) 260.33
SMILES C1C(c2ncc[nH]2)C1(c3ccccc3)c4ccccc4
Molecular Formula C18H16N2
2

2-Amino-5-chlorobenzoxazole, 97%

CAS: 61-80-3 Molecular Formula: C7H5ClN2O Molecular Weight (g/mol): 168.58 MDL Number: MFCD00005770 InChI Key: YGCODSQDUUUKIV-UHFFFAOYSA-N Synonym: zoxazolamine,2-amino-5-chlorobenzoxazole,5-chlorobenzo d oxazol-2-amine,flexin,2-benzoxazolamine, 5-chloro,contrazole,deflexol,flexilon,zoxamin,zoxine PubChem CID: 6103 ChEBI: CHEBI:35053 IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine SMILES: NC1=NC2=CC(Cl)=CC=C2O1

PubChem CID 6103
CAS 61-80-3
Molecular Weight (g/mol) 168.58
ChEBI CHEBI:35053
MDL Number MFCD00005770
SMILES NC1=NC2=CC(Cl)=CC=C2O1
Synonym zoxazolamine,2-amino-5-chlorobenzoxazole,5-chlorobenzo d oxazol-2-amine,flexin,2-benzoxazolamine, 5-chloro,contrazole,deflexol,flexilon,zoxamin,zoxine
IUPAC Name 5-chloro-1,3-benzoxazol-2-amine
InChI Key YGCODSQDUUUKIV-UHFFFAOYSA-N
Molecular Formula C7H5ClN2O
3

2-Oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic Acid Pinacol Ester, TRC

CAS: 1105710-32-4 Molecular Formula: C13H16BNO4 Molecular Weight (g/mol): 261.08 Synonym: 2-Oxo-2,3-dihydrobenzoxazole-6-boronic Acid Pinacol Ester IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one SMILES: CC1(C)OB(OC1(C)C)c2ccc3NC(=O)Oc3c2

CAS 1105710-32-4
Molecular Weight (g/mol) 261.08
SMILES CC1(C)OB(OC1(C)C)c2ccc3NC(=O)Oc3c2
Synonym 2-Oxo-2,3-dihydrobenzoxazole-6-boronic Acid Pinacol Ester
IUPAC Name 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one
Molecular Formula C13H16BNO4
4

Chlorfenapyr, TRC

CAS: 122453-73-0 Molecular Formula: C15 H11 Br Cl F3 N2 O Molecular Weight (g/mol): 407.61 Synonym: 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile,4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile,AC 303-630,AC 303630,Bromchlorfenapyr,CL 303630,Chlorfenapyr,Citrex,Citrex (acaricide),Kotetsu,Lepido,Mystox MP,Phantom,Pirate,Pirate 3F,Pylon,Rampage,Rampage (insecticide),Secure,Secure 360SC Insecticide-Miticide,Stealth IUPAC Name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile SMILES: CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F

CAS 122453-73-0
Molecular Weight (g/mol) 407.61
SMILES CCOCn1c(c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F
Synonym 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile,4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile,AC 303-630,AC 303630,Bromchlorfenapyr,CL 303630,Chlorfenapyr,Citrex,Citrex (acaricide),Kotetsu,Lepido,Mystox MP,Phantom,Pirate,Pirate 3F,Pylon,Rampage,Rampage (insecticide),Secure,Secure 360SC Insecticide-Miticide,Stealth
IUPAC Name 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Molecular Formula C15 H11 Br Cl F3 N2 O
5

Phosalone, TRC

CAS: 2310-17-0 Molecular Formula: C12 H15 Cl N O4 P S2 Molecular Weight (g/mol): 367.81 Synonym: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone (7CI,8CI),3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone,6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone,Agria 1060,Benzophosphate,Chipman 11974,Fosalon,Fozolone,KB insectes,NIA 9241,O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate,Phosalon,Phosalone,Phosphorodithioic acid O,O-diethyl S-[(6-chloro-2-oxobenzoxazolin-3-yl)methyl] ester,RP 11974,Rubitox,S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate,S-[6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone] O,O-diethyl phosphorodithioate,Zolone,Zolone 35EC,Zolone Flo,Zolone PM,Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester IUPAC Name: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one SMILES: CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12

CAS 2310-17-0
Molecular Weight (g/mol) 367.81
SMILES CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12
Synonym Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone (7CI,8CI),3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone,6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone,Agria 1060,Benzophosphate,Chipman 11974,Fosalon,Fozolone,KB insectes,NIA 9241,O,O-Diethyl S-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate,Phosalon,Phosalone,Phosphorodithioic acid O,O-diethyl S-[(6-chloro-2-oxobenzoxazolin-3-yl)methyl] ester,RP 11974,Rubitox,S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate,S-[6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone] O,O-diethyl phosphorodithioate,Zolone,Zolone 35EC,Zolone Flo,Zolone PM,Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
IUPAC Name 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Molecular Formula C12 H15 Cl N O4 P S2