Benzoxazoles

Alfa Aesar™ 5-Bromobenzoxazole-2-thiol, 97%

CAS: 439607-87-1 Molecular Formula: C7H4BrNOS Molecular Weight (g/mol): 230.079 MDL Number: MFCD08447020 InChI Key: YFFBNUPHVZYFQL-UHFFFAOYSA-N Synonym: 5-bromo-1,3-benzoxazole-2 3h-thione, 5-bromo-1,3-benzoxazole-2-thiol, 5-bromo-2 3h-benzoxazolethione, 5-bromobenzo d oxazole-2 3h-thione, 5-bromobenzo d oxazole-2-thiol, 5-bromobenzoxazole-2-thiol, acmc-20am5b PubChem CID: 10633197 IUPAC Name: 5-bromo-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Br)NC(=S)O2

Alfa Aesar™ 5-Methylbenzoxazole, 99%

CAS: 10531-78-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00216938 InChI Key: UBIAVBGIRDRQLD-UHFFFAOYSA-N Synonym: 5-methyl-benzoxazole, 5-methylbenzo d oxazole, 5-methylbenzo d oxazole;5-methylbenzo d oxazole, 5-methylbenzooxazole, 5-methylbenzoxazole, acmc-1bprw, pubchem8638 PubChem CID: 2724970 IUPAC Name: 5-methyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC=N2

3-Ethyl-2-methylbenzoxazolium Iodide 98.0+%, TCI America™

CAS: 5260-37-7 Molecular Formula: C10H12INO Molecular Weight (g/mol): 289.116 MDL Number: MFCD00044141 InChI Key: UZWYLWSUBQEUMC-UHFFFAOYSA-M Synonym: 2-methyl-3-ethylbenzoxazolium iodide, 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide, 3-ethyl-2-methylbenzo d oxazol-3-ium iodide, 3-ethyl-2-methylbenzoxazolium iodide, 3-ethyl-2-methylbenzoxazolium iodide, technical grade, 3-ethyl-2-methylbenzoxazoliumiodide, acmc-209l0h, benzoxazolium, 3-ethyl-2-methyl-, iodide, benzoxazolium, 3-ethyl-2-methyl-, iodide 1:1, ethyl-2-methyl-benzoxazolium iodide PubChem CID: 21331 IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide SMILES: CC[N+]1=C(OC2=CC=CC=C21)C.[I-]

Benzoxazole, 97+%, ACROS Organics™

CAS: 273-53-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00005765 InChI Key: BCMCBBGGLRIHSE-UHFFFAOYSA-N Synonym: 1-oxa-3-aza-1h-indene, 1-oxa-3-azaindene, benzo d oxazole, benzooxazole, benzothiazoie, benzoxazol, benzoxazole, benzoxazoline, unii-j233y1i55i, usaf ek-5017 PubChem CID: 9228 ChEBI: CHEBI:38814 IUPAC Name: 1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=CO2

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

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

Alfa Aesar™ 2-Methylbenzoxazole, 98%

CAS: 95-21-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005771 InChI Key: DQSHFKPKFISSNM-UHFFFAOYSA-N Synonym: 2-methyl-4,5-benzoxazole, 2-methyl-benzooxazole, 2-methyl-benzoxazole, 2-methylbenzo d oxazole, 2-methylbenzoxazol, 2-methylbenzoxazol czech, 2-methylbenzoxazole, benzoxazole, 2-methyl, unii-z0p021v3ti, usaf ek-982 PubChem CID: 7225 ChEBI: CHEBI:51603 IUPAC Name: 2-methyl-1,3-benzoxazole SMILES: CC1=NC2=CC=CC=C2O1

Alfa Aesar™ 2,5,6-Trimethylbenzoxazole, 98%

CAS: 19219-98-8 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00022849 InChI Key: PDVDINPEWGXOHX-UHFFFAOYSA-N Synonym: 2,5,6-trimethyl-benzoxazole, 2,5,6-trimethylbenzo d oxazole, 2,5,6-trimethylbenzoxazol, 2,5,6-trimethylbenzoxazole, 2,6-trimethylbenzoxazole, acmc-1c5qd, benzoxazole, 2,5,6-trimethyl, benzoxazole,2,5,6-trimethyl, benzoxazole,5,6-trimethyl, pubchem8696 PubChem CID: 87965 IUPAC Name: 2,5,6-trimethyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1C)OC(=N2)C

6-Methyl-1,3-benzoxazole-2(3H)-thione 98.0+%, TCI America™

CAS: 23417-29-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00175644 InChI Key: NUMDWMDMUXZMHA-UHFFFAOYSA-N Synonym: 6-Methyl-1,3-benzoxazole-2-thiol PubChem CID: 963501 IUPAC Name: 6-methyl-3H-1,3-benzoxazole-2-thione SMILES: CC1=CC2=C(C=C1)NC(=S)O2

1,4-Bis(2-benzoxazolyl)naphthalene 98.0+%, TCI America™

CAS: 5089-22-5 Molecular Formula: C24H14N2O2 Molecular Weight (g/mol): 362.388 InChI Key: WFYSPVCBIJCZPX-UHFFFAOYSA-N PubChem CID: 78769 IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole SMILES: C1=CC=C2C(=C1)C(=CC=C2C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5

5-Phenylbenzoxazole-2-thiol 98.0+%, TCI America™

CAS: 17371-99-2 Molecular Formula: C13H9NOS Molecular Weight (g/mol): 227.281 MDL Number: MFCD00022847 InChI Key: QKLMWNVNJBXKRG-UHFFFAOYSA-N Synonym: 2-Mercapto-5-phenylbenzoxazole, 5-Phenylbenzoxazoline-2(3H)-thione PubChem CID: 3032663 IUPAC Name: 5-phenyl-3H-1,3-benzoxazole-2-thione SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=S)N3

Alfa Aesar™ 2-Mercaptobenzoxazole, 98+%

CAS: 2382-96-9 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00005769 InChI Key: FLFWJIBUZQARMD-UHFFFAOYSA-N Synonym: 1,3-benzoxazole-2-thiol, 2 3h-benzoxazolethione, 2-benzoxazolethiol, 2-benzoxazolinethione, 2-mercapto-1,3-benzoxazole, 2-mercaptobenzoxazole, benzo d oxazole-2-thiol, benzooxazole-2-thiol, benzoxazole-2-thiol, benzoxazolinethione PubChem CID: 712377 IUPAC Name: 3H-1,3-benzoxazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)O2

2-Aminobenzoxazole 98.0+%, TCI America™

CAS: 4570-41-6 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD00182850 InChI Key: JPBLHOJFMBOCAF-UHFFFAOYSA-N PubChem CID: 20707 IUPAC Name: 1,3-benzoxazol-2-amine SMILES: C1=CC=C2C(=C1)N=C(O2)N

2-Methylnaphth[2,1-d]oxazole 98.0+%, TCI America™

CAS: 20686-65-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00022185 InChI Key: JKYSRHYQAVELLH-UHFFFAOYSA-N Synonym: 2-methylbenzo g 1,3 benzoxazole, 2-methylbenzo g benzoxazole, 2-methylnaphth 2,1-d oxazole, 2-methylnaphtho 2,1-d 1,3 oxazole, 2-methylnaphtho 2,1-d oxazole, naphth 2,1-d oxazole, 2-methyl, pubchem8703 PubChem CID: 88652 IUPAC Name: 2-methylbenzo[g][1,3]benzoxazole SMILES: CC1=NC2=C(O1)C3=CC=CC=C3C=C2

5-Chloro-2-methylbenzoxazole 98.0+%, TCI America™

CAS: 19219-99-9 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.592 MDL Number: MFCD00022850 InChI Key: HJCIGAUHTJBHBQ-UHFFFAOYSA-N PubChem CID: 29510 IUPAC Name: 5-chloro-2-methyl-1,3-benzoxazole SMILES: CC1=NC2=C(O1)C=CC(=C2)Cl

Alfa Aesar™ 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene, 99%

CAS: 7128-64-5 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD00005774 InChI Key: AIXZBGVLNVRQSS-UHFFFAOYSA-N Synonym: 2,2'-2,5-thiophenediyl bis 5-tert-butylbenzoxazole, 2,5-bis 5-tert-butyl benzo d oxazol-2-yl thiophene, 2,5-bis 5-tert-butyl-2-benzoxazolyl thiophene, 2,5-bis 5-tert-butylbenzoxazol-2-yl thiophene, bbot, bbot 150, benzoxazole, 2,2'-2,5-thiophenediyl bis 5-1,1-dimethylethyl, fluorescent brightener 184, unii-w7ur9129gp, uvitex ob PubChem CID: 292429 IUPAC Name: 5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C

2,5-Dimethylbenzoxazole 98.0+%, TCI America™

CAS: 5676-58-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005773 InChI Key: XVQGFGKAPKEUFT-UHFFFAOYSA-N Synonym: #, 2,5-dimethyl benzoxazole, 2,5-dimethyl-benzoxazole, 2,5-dimethylbenzo d oxazole, 2,5-dimethylbenzoxazole, acmc-209lua, benzoxazole, 2,5-dimethyl, benzoxazole,2,5-dimethyl, benzoxazole,5-dimethyl, pubchem8640 PubChem CID: 21884 IUPAC Name: 2,5-dimethyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC(=N2)C

2-(2-Pyridyl)benzoxazole 97.0+%, TCI America™

CAS: 32959-62-9 Molecular Formula: C12H8N2O Molecular Weight (g/mol): 196.209 MDL Number: MFCD00569582 InChI Key: WELSCYIRWKBEBZ-UHFFFAOYSA-N PubChem CID: 135005 IUPAC Name: 2-pyridin-2-yl-1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=CC=N3

2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene 98.0+%, TCI America™

CAS: 7128-64-5 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD00005774 InChI Key: AIXZBGVLNVRQSS-UHFFFAOYSA-N Synonym: 2,2'-2,5-thiophenediyl bis 5-tert-butylbenzoxazole, 2,5-bis 5-tert-butyl benzo d oxazol-2-yl thiophene, 2,5-bis 5-tert-butyl-2-benzoxazolyl thiophene, 2,5-bis 5-tert-butylbenzoxazol-2-yl thiophene, bbot, bbot 150, benzoxazole, 2,2'-2,5-thiophenediyl bis 5-1,1-dimethylethyl, fluorescent brightener 184, unii-w7ur9129gp, uvitex ob PubChem CID: 292429 IUPAC Name: 5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C

Alfa Aesar™ 5-Chlorobenzoxazole-2-thiol, 97%

CAS: 22876-19-3 Molecular Formula: C7H4ClNOS Molecular Weight (g/mol): 185.625 MDL Number: MFCD00175241 InChI Key: BOBIZYYFYLLRAH-UHFFFAOYSA-N Synonym: 2 3h-benzoxazolethione, 5-chloro, 2-benzoxazolethiol, 5-chloro, 2-mercapto-5-chlorobenzoxazole, 5-chloro-1,3-benzoxazole-2-thiol, 5-chloro-2-mercaptobenzoxazole, 5-chloro-2-thioxobenzoxazoline, 5-chloro-benzooxazole-2-thiol, 5-chlorobenzo d oxazole-2 3h-thione, 5-chlorobenzo d oxazole-2-thiol, 5-chlorobenzooxazole-2-thiol PubChem CID: 708870 IUPAC Name: 5-chloro-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Cl)NC(=S)O2

2-[4-(Dimethylamino)styryl]-N-methylbenzoxazolium perchlorate, 97%, Alfa Aesar™

CAS: 64872-13-5 MDL Number: MFCD00274415 Synonym: 2-4-dimethylaminostyryl-n-methyl-benzo xazolium p

Alfa Aesar™ 6-Aminobenzoxazole, 95%

CAS: 177492-52-3 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD03791187 InChI Key: ZJYIRVSPPOOPCL-UHFFFAOYSA-N Synonym: #, 6-amino-1,3-benzoxazole, 6-amino-benzoxazole, 6-aminobenzoxazole, 6-benzoxazolamine, benzo d oxazol-6-amine, benzooxazol-6-ylamine, benzoxazole-6-ylamine, pubchem17704 PubChem CID: 584120 IUPAC Name: 1,3-benzoxazol-6-amine SMILES: C1=CC2=C(C=C1N)OC=N2

Alfa Aesar™ 5-Chlorobenzoxazole, 95%

CAS: 17200-29-2 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.565 MDL Number: MFCD00216939 InChI Key: VWMQXAYLHOSRKA-UHFFFAOYSA-N Synonym: 5-chlorobenzo d oxazole, 5-chlorobenzoxazole, acmc-209zyg, benzoxazole, 5-chloro, ksc182q4t, maybridge1_004177, pubchem8712 PubChem CID: 28398 IUPAC Name: 5-chloro-1,3-benzoxazole SMILES: C1=CC2=C(C=C1Cl)N=CO2

6-Chloro-2-benzoxazolethiol, 99%, ACROS Organics™

CAS: 22876-20-6 Molecular Formula: C7H4ClNOS Molecular Weight (g/mol): 185.63 MDL Number: MFCD01456482 InChI Key: HAASPZUBSZGCKU-UHFFFAOYSA-N Synonym: 2-mercapto-6-chlorobenzoxazole, 6-chloro-1,3-benzoxazole-2-thiol, 6-chloro-2-benzoxazolethiol, 6-chloro-2-mercaptobenzoxazole, 6-chloro-benzooxazole-2-thiol, 6-chlorobenzo d oxazole-2 3h-thione, 6-chlorobenzo d oxazole-2-thiol, 6-chlorobenzoxazole-2 3h-thione, 6-chlorobenzoxazole-2-thiol, pubchem8714 PubChem CID: 2119214 IUPAC Name: 6-chloro-3H-1,3-benzoxazole-2-thione SMILES: C1=CC2=C(C=C1Cl)OC(=S)N2

Alfa Aesar™ 4-Nitro-2-(trifluoromethyl)benzoxazole, 97%

CAS: 573759-00-9 Molecular Formula: C8H3F3N2O3 Molecular Weight (g/mol): 232.118 InChI Key: MVYGNYLHXPFQJV-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzo d oxazole, 4-nitro-2-trifluoromethyl benzoxazole, 4-nitro-2-trifluoromethyl-1,3-benzoxazole, 4-nitro-2-trifluoromethyl-benzooxazole, 4-nitro-2-trifluoromethylbenzoxazole PubChem CID: 21875019 IUPAC Name: 4-nitro-2-(trifluoromethyl)-1,3-benzoxazole SMILES: C1=CC(=C2C(=C1)OC(=N2)C(F)(F)F)[N+](=O)[O-]

Alfa Aesar™ 3-Ethyl-2-methylbenzoxazolium iodide, 95%

CAS: 5260-37-7 Molecular Formula: C10H12INO Molecular Weight (g/mol): 289.116 MDL Number: MFCD00044141 InChI Key: UZWYLWSUBQEUMC-UHFFFAOYSA-M Synonym: 2-methyl-3-ethylbenzoxazolium iodide, 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide, 3-ethyl-2-methylbenzo d oxazol-3-ium iodide, 3-ethyl-2-methylbenzoxazolium iodide, 3-ethyl-2-methylbenzoxazolium iodide, technical grade, 3-ethyl-2-methylbenzoxazoliumiodide, acmc-209l0h, benzoxazolium, 3-ethyl-2-methyl-, iodide, benzoxazolium, 3-ethyl-2-methyl-, iodide 1:1, ethyl-2-methyl-benzoxazolium iodide PubChem CID: 21331 IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide SMILES: CC[N+]1=C(OC2=CC=CC=C21)C.[I-]

Alfa Aesar™ Antibiotic A23187, 98%

CAS: 52665-69-7 Molecular Formula: C29H37N3O6 Molecular Weight (g/mol): 523.63 MDL Number: MFCD00151202 InChI Key: HIYAVKIYRIFSCZ-MVEUKLNNSA-N Synonym: Calcimycin; Calcium ionophore A23187 PubChem CID: 97043288 IUPAC Name: 5-(methylamino)-2-[[(2R,3S,5S,6S,8S,9S)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

6-bromo-1,3-benzoxazol-2(3h)-one, 97%, Maybridge™

CAS: 19932-85-5 Molecular Formula: C7H4BrNO2 Molecular Weight (g/mol): 214.018 MDL Number: MFCD00694727 InChI Key: DDNKJFBQMQOIKI-UHFFFAOYSA-N Synonym: 2 3h-benzoxazolone, 6-bromo, 2-benzoxazolinone, 6-bromo, 6-bromo-1,3-benzoxazol-2 3h-one, 6-bromo-2 3h-benzoxazolone, 6-bromo-2,3-dihydro-1,3-benzoxazol-2-one, 6-bromo-2-benzoxazolinone, 6-bromobenzo d oxazol-2 3h-one, 6-bromobenzoxazol-2 3h-one, 6-bromobenzoxazolinone, cincreasin PubChem CID: 29859 ChEBI: CHEBI:77861 IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1Br)OC(=O)N2

5-Amino-2-methyl-1,3-benzoxazole, 97%, ACROS Organics™

CAS: 72745-76-7 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.17 InChI Key: FECYTFWPNCBIHC-UHFFFAOYSA-N Synonym: 2-methyl-5-aminobenzoxazole, 2-methyl-benzooxazol-5-ylamine, 2-methyl-benzoxazol-5-ylamine, 2-methylbenzo d oxazol-5-amine, 2-methylbenzoxazol-5-yl amine, 2-methylbenzoxazole-5-ylamine, 5-amino-2-methyl-1,3-benzoxazole, 5-amino-2-methylbenzoxazole, 5-benzoxazolamine, 2-methyl, 5-benzoxazolamine,2-methyl PubChem CID: 737920 IUPAC Name: 2-methyl-1,3-benzoxazol-5-amine SMILES: CC1=NC2=C(O1)C=CC(=C2)N

5-Fluoro-2-methylbenzoxazole 97.0+%, TCI America™

CAS: 701-16-6 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02093471 InChI Key: GYRZYFSJULFMCS-UHFFFAOYSA-N PubChem CID: 2769350 IUPAC Name: 5-fluoro-2-methyl-1,3-benzoxazole SMILES: CC1=NC2=C(O1)C=CC(=C2)F

Alfa Aesar™ 2-Chlorobenzoxazole, 99%

CAS: 615-18-9 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.565 MDL Number: MFCD00005766 InChI Key: BBVQDWDBTWSGHQ-UHFFFAOYSA-N Synonym: 2-chloro benzoxazole, 2-chloro-benzooxazole, 2-chloro-benzoxazole, 2-chlorobenzo d oxazole, 2-chlorobenzooxazole, 2-chlorobenzoxazol, 2-chlorobenzoxazole, benzoxazole, 2-chloro, benzoxazole, chloro, chlorobenzoxazole PubChem CID: 11986 IUPAC Name: 2-chloro-1,3-benzoxazole SMILES: C1=CC=C2C(=C1)N=C(O2)Cl

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