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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-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
2

Methyl 2-methyl-1,3-benzoxazole-5-carboxylate, 97%

CAS: 136663-21-3 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD07774245 InChI Key: UFLDNRAXHGPDOD-UHFFFAOYSA-N Synonym: methyl 2-methylbenzo d oxazole-5-carboxylate,5-benzoxazolecarboxylicacid, 2-methyl-, methyl ester,acmc-1c498,methyl2-methyl-1,3-benzoxazole-5-carboxylate,methyl 2-methylbenzoxazole-5-carboxylate,5-methoxycarbonyl-2-methyl-1,3-benzoxazole,methyl 2-methyl-1?3-benzoxazole-5-carboxylate,2-methylbenzoxazole-5-carboxylic acid methyl ester,5-benzoxazolecarboxylicacid,2-methyl-,methyl ester,5-benzoxazolecarboxylic acid, 2-methyl-, methyl ester PubChem CID: 12157466 IUPAC Name: methyl 2-methyl-1,3-benzoxazole-5-carboxylate SMILES: CC1=NC2=C(O1)C=CC(=C2)C(=O)OC

PubChem CID 12157466
CAS 136663-21-3
Molecular Weight (g/mol) 191.19
MDL Number MFCD07774245
SMILES CC1=NC2=C(O1)C=CC(=C2)C(=O)OC
Synonym methyl 2-methylbenzo d oxazole-5-carboxylate,5-benzoxazolecarboxylicacid, 2-methyl-, methyl ester,acmc-1c498,methyl2-methyl-1,3-benzoxazole-5-carboxylate,methyl 2-methylbenzoxazole-5-carboxylate,5-methoxycarbonyl-2-methyl-1,3-benzoxazole,methyl 2-methyl-1?3-benzoxazole-5-carboxylate,2-methylbenzoxazole-5-carboxylic acid methyl ester,5-benzoxazolecarboxylicacid,2-methyl-,methyl ester,5-benzoxazolecarboxylic acid, 2-methyl-, methyl ester
IUPAC Name methyl 2-methyl-1,3-benzoxazole-5-carboxylate
InChI Key UFLDNRAXHGPDOD-UHFFFAOYSA-N
Molecular Formula C10H9NO3
3

2-Benzoxazolinone, TRC

CAS: 59-49-4 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 Synonym: 1,2-Dihydrobenzoxazol-2-one,1,3-Benzoxazol-2(3H)-one,2(3H)-Benzoxazolinone2,3-Dihydro-1,3-benzoxazol-2-one,2-Benzoxazolol,2-Hydroxybenzoxazole2-Oxo-2,3-dihydrobenzoxazole,Benzo[d]oxazol-2(3H)-one,(2-Hydroxyphenyl)-gamma-lactone Carbamic Acid IUPAC Name: 3H-1,3-benzoxazol-2-one SMILES: O=C1Nc2ccccc2O1

CAS 59-49-4
Molecular Weight (g/mol) 135.12
SMILES O=C1Nc2ccccc2O1
Synonym 1,2-Dihydrobenzoxazol-2-one,1,3-Benzoxazol-2(3H)-one,2(3H)-Benzoxazolinone2,3-Dihydro-1,3-benzoxazol-2-one,2-Benzoxazolol,2-Hydroxybenzoxazole2-Oxo-2,3-dihydrobenzoxazole,Benzo[d]oxazol-2(3H)-one,(2-Hydroxyphenyl)-gamma-lactone Carbamic Acid
IUPAC Name 3H-1,3-benzoxazol-2-one
Molecular Formula C7H5NO2
4

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
5
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Benzoxazole, 97+%

CAS: 273-53-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00005765 InChI Key: BCMCBBGGLRIHSE-UHFFFAOYSA-N Synonym: benzoxazole,1-oxa-3-azaindene,1-oxa-3-aza-1h-indene,benzo d oxazole,benzooxazole,usaf ek-5017,unii-j233y1i55i,benzoxazol,benzoxazoline,benzothiazoie PubChem CID: 9228 ChEBI: CHEBI:38814 IUPAC Name: 1,3-benzoxazole SMILES: O1C=NC2=CC=CC=C12

PubChem CID 9228
CAS 273-53-0
Molecular Weight (g/mol) 119.12
ChEBI CHEBI:38814
MDL Number MFCD00005765
SMILES O1C=NC2=CC=CC=C12
Synonym benzoxazole,1-oxa-3-azaindene,1-oxa-3-aza-1h-indene,benzo d oxazole,benzooxazole,usaf ek-5017,unii-j233y1i55i,benzoxazol,benzoxazoline,benzothiazoie
IUPAC Name 1,3-benzoxazole
InChI Key BCMCBBGGLRIHSE-UHFFFAOYSA-N
Molecular Formula C7H5NO