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Isoxazole

Aromatische organische heterozyklische Verbindungen, die aus einem Azol mit einem Stickstoffatom und einem Sauerstoffatom mit der Formel bestehen: C3H3NO.

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1

Isoxazol-5-carbonsäure, 98 %, Thermo Scientific Chemicals

CAS: 21169-71-1 Summenformel: C4H3NO3 Molekulargewicht (g/mol): 113.072 MDL-Nummer: MFCD00156151 InChI-Schlüssel: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC-Name: 1,2-Oxazol-5-Carbonsäure SMILES: C1=C(ON=C1)C(=O)O

InChI-Schlüssel MIIQJAUWHSUTIT-UHFFFAOYSA-N
IUPAC-Name 1,2-Oxazol-5-Carbonsäure
PubChem CID 2060599
CAS 21169-71-1
MDL-Nummer MFCD00156151
Molekulargewicht (g/mol) 113.072
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
Summenformel C4H3NO3
2

3-Methylisoxazol-5-carbonsäure, 97 %, Thermo Scientific™

CAS: 4857-42-5 Summenformel: C5H5NO3 Molekulargewicht (g/mol): 127.099 MDL-Nummer: MFCD00464222 InChI-Schlüssel: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC-Name: 3-Methyl-1,2-Oxazol-5-Carbonsäure SMILES: CC1=NOC(=C1)C(=O)O

InChI-Schlüssel HXIYCKAAQPHZBM-UHFFFAOYSA-N
IUPAC-Name 3-Methyl-1,2-Oxazol-5-Carbonsäure
PubChem CID 853085
CAS 4857-42-5
MDL-Nummer MFCD00464222
Molekulargewicht (g/mol) 127.099
SMILES CC1=NOC(=C1)C(=O)O
Synonym 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
Summenformel C5H5NO3
3

Isoxazol-5-Carbonylchlorid, 97 %, Thermo Scientific Chemicals

CAS: 62348-13-4 Summenformel: C4H2ClNO2 Molekulargewicht (g/mol): 131.52 MDL-Nummer: MFCD00067868 InChI-Schlüssel: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC-Name: 1,2-Oxazol-5-Carbonylchlorid SMILES: ClC(=O)C1=CC=NO1

InChI-Schlüssel NASLINFISOTVJJ-UHFFFAOYSA-N
IUPAC-Name 1,2-Oxazol-5-Carbonylchlorid
PubChem CID 2736707
CAS 62348-13-4
MDL-Nummer MFCD00067868
Molekulargewicht (g/mol) 131.52
SMILES ClC(=O)C1=CC=NO1
Synonym isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
Summenformel C4H2ClNO2
4

3,4-Dimethylisoxazol-5-amin, 97 %, Thermo Scientific™

CAS: 19947-75-2 Summenformel: C5H8N2O Molekulargewicht (g/mol): 112.132 MDL-Nummer: MFCD00046081 InChI-Schlüssel: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC-Name: 3,4-Dimethyl-1,2-Oxazol-5-Amin SMILES: CC1=C(ON=C1C)N

InChI-Schlüssel PYNDWPFZDQONDV-UHFFFAOYSA-N
IUPAC-Name 3,4-Dimethyl-1,2-Oxazol-5-Amin
PubChem CID 88317
CAS 19947-75-2
MDL-Nummer MFCD00046081
Molekulargewicht (g/mol) 112.132
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
Summenformel C5H8N2O
5

5-Methylisoxazol-3-carbonsäure, 97 %, Thermo Scientific™

CAS: 3405-77-4 Summenformel: C5H5NO3 Molekulargewicht (g/mol): 127.099 MDL-Nummer: MFCD01318162 InChI-Schlüssel: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC-Name: 5-Methyl-1,2-Oxazol-3-Carbonsäure SMILES: CC1=CC(=NO1)C(=O)O

InChI-Schlüssel BNMPIJWVMVNSRD-UHFFFAOYSA-N
IUPAC-Name 5-Methyl-1,2-Oxazol-3-Carbonsäure
PubChem CID 76947
CAS 3405-77-4
MDL-Nummer MFCD01318162
Molekulargewicht (g/mol) 127.099
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
Summenformel C5H5NO3
7

Benzo[d]isoxazol-3-ol, ≥ 95 %, Thermo Scientific™

CAS: 21725-69-9 Summenformel: C7H5NO2 Molekulargewicht (g/mol): 135.122 MDL-Nummer: MFCD00125030 InChI-Schlüssel: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC-Name: 1,2-Benzoxazol-3-on SMILES: C1=CC=C2C(=C1)C(=O)NO2

InChI-Schlüssel QLDQYRDCPNBPII-UHFFFAOYSA-N
IUPAC-Name 1,2-Benzoxazol-3-on
PubChem CID 210830
CAS 21725-69-9
MDL-Nummer MFCD00125030
Molekulargewicht (g/mol) 135.122
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
Summenformel C7H5NO2
8

3-(Chlormethyl)-5-phenylisoxazol, ≥ 97 %, Thermo Scientific™

CAS: 14731-10-3 Summenformel: C10H8ClNO Molekulargewicht (g/mol): 193.63 MDL-Nummer: MFCD01444154 InChI-Schlüssel: MLJJRVMANUGETQ-UHFFFAOYSA-N PubChem CID: 1484769 IUPAC-Name: 3-(Chlormethyl)-5-Phenyl-1,2-Oxazol SMILES: ClCC1=NOC(=C1)C1=CC=CC=C1

InChI-Schlüssel MLJJRVMANUGETQ-UHFFFAOYSA-N
IUPAC-Name 3-(Chlormethyl)-5-Phenyl-1,2-Oxazol
PubChem CID 1484769
CAS 14731-10-3
MDL-Nummer MFCD01444154
Molekulargewicht (g/mol) 193.63
SMILES ClCC1=NOC(=C1)C1=CC=CC=C1
Summenformel C10H8ClNO
10

Isoxazol-5-carbonylchlorid, TECH, Thermo Scientific™

CAS: 62348-13-4 Summenformel: C4H2ClNO2 Molekulargewicht (g/mol): 131.52 MDL-Nummer: MFCD00067868 InChI-Schlüssel: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC-Name: 1,2-Oxazol-5-Carbonylchlorid SMILES: ClC(=O)C1=CC=NO1

InChI-Schlüssel NASLINFISOTVJJ-UHFFFAOYSA-N
IUPAC-Name 1,2-Oxazol-5-Carbonylchlorid
PubChem CID 2736707
CAS 62348-13-4
MDL-Nummer MFCD00067868
Molekulargewicht (g/mol) 131.52
SMILES ClC(=O)C1=CC=NO1
Synonym isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
Summenformel C4H2ClNO2
11

3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonylchlorid, 97 %, Thermo Scientific™

CAS: 465514-03-8 Summenformel: C12H10ClNO3 Molekulargewicht (g/mol): 251.67 MDL-Nummer: MFCD03407359 InChI-Schlüssel: FABGSPUDPOKWCR-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl-5-methyl-4-isoxazolecarbonyl chloride,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-4-methoxyphenyl-5-methylisoxazole-4-carbonyl chloride PubChem CID: 2779766 IUPAC-Name: 3-(4-Methoxyphenyl)-5-methyl-1,2-oxazol-4-carbonylchlorid SMILES: COC1=CC=C(C=C1)C1=NOC(C)=C1C(Cl)=O

InChI-Schlüssel FABGSPUDPOKWCR-UHFFFAOYSA-N
IUPAC-Name 3-(4-Methoxyphenyl)-5-methyl-1,2-oxazol-4-carbonylchlorid
PubChem CID 2779766
CAS 465514-03-8
MDL-Nummer MFCD03407359
Molekulargewicht (g/mol) 251.67
SMILES COC1=CC=C(C=C1)C1=NOC(C)=C1C(Cl)=O
Synonym 3-4-methoxyphenyl-5-methyl-4-isoxazolecarbonyl chloride,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-4-methoxyphenyl-5-methylisoxazole-4-carbonyl chloride
Summenformel C12H10ClNO3
13

4-(Brommethyl)-5-methyl-3-phenylisoxazol, 97 %, Thermo Scientific™

CAS: 180597-83-5 Summenformel: C11H10BrNO Molekulargewicht (g/mol): 252.11 MDL-Nummer: MFCD02677680 InChI-Schlüssel: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC-Name: 4-(Brommethyl)-5-Methyl-3-Phenyl-1,2-Oxazol SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

InChI-Schlüssel UICMWXWMCOJBIQ-UHFFFAOYSA-N
IUPAC-Name 4-(Brommethyl)-5-Methyl-3-Phenyl-1,2-Oxazol
PubChem CID 2776147
CAS 180597-83-5
MDL-Nummer MFCD02677680
Molekulargewicht (g/mol) 252.11
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
Summenformel C11H10BrNO
14

4-(Brommethyl)-3-methyl-5-phenylisoxazol, ≥ 95 %, Thermo Scientific™

CAS: 113841-59-1 Summenformel: C11H10BrNO Molekulargewicht (g/mol): 252.111 MDL-Nummer: MFCD03086124 InChI-Schlüssel: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC-Name: 4-(Brommethyl)-3-Methyl-5-Phenyl-1,2-Oxazol SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

InChI-Schlüssel KCGVZUOBUPWFJC-UHFFFAOYSA-N
IUPAC-Name 4-(Brommethyl)-3-Methyl-5-Phenyl-1,2-Oxazol
PubChem CID 2776518
CAS 113841-59-1
MDL-Nummer MFCD03086124
Molekulargewicht (g/mol) 252.111
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
Summenformel C11H10BrNO
15

7-Methylbenzo[d]isoxazol-3-ol, 97 %, Thermo Scientific™

CAS: 36238-83-2 Summenformel: C8H7NO2 Molekulargewicht (g/mol): 149.149 MDL-Nummer: MFCD00104669 InChI-Schlüssel: JUNCQBPTXAQOSA-UHFFFAOYSA-N Synonym: 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one PubChem CID: 2782122 IUPAC-Name: 7-Methyl-1,2-benzoxazol-3-on SMILES: CC1=CC=CC2=C1ONC2=O

InChI-Schlüssel JUNCQBPTXAQOSA-UHFFFAOYSA-N
IUPAC-Name 7-Methyl-1,2-benzoxazol-3-on
PubChem CID 2782122
CAS 36238-83-2
MDL-Nummer MFCD00104669
Molekulargewicht (g/mol) 149.149
SMILES CC1=CC=CC2=C1ONC2=O
Synonym 7-methylbenzo d isoxazol-3-ol,7-methylbenzo d isoxazol-3 2h-one,7-methyl-1,2-benzoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazole,7-methyl-2h-1,2-benzoxazol-3-one,7-methyl-benzo d isoxazol-3-ol,3-hydroxy-7-methyl-1,2-benzisoxazol,benzo d isoxazol-3-ol derivative, 3n,1,2-benzisoxazol-3 2h-one,7-methyl,7-methyl-1,2-benzoisoxazole-3 2h-one
Summenformel C8H7NO2