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1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel- | CAS No. 133855-98-8

1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-

Basic Information

Chemical_Structure_Of

CAS Number

133855-98-8

Molecular Formula

C17H13ClFN3O

Molecular Weight

329.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

463.1 oC at 760 mmHg

Density

1.39

Flash Point

233.9 oC

Refractive Index

1.659

SMILES

C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1

InChIKey

ZMYFCFLJBGAQRS-IAGOWNOFSA-N

LogP

3.73760

Complexity

421

Safety Information

View Safety Information

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

J-001573
Fire Opal
(2RS,3RS)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-((1H-1,2,4-triazol-1-yl)methyl)oxirane
Epoxiconazole 100 microg/mL in Acetonitrile
1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-
1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-
UNII-U80T84L776
CHEBI:4811
Q27157183
106325-08-0
U80T84L776
1H-1,2,4-Triazole, 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, cis-(+-)-
OPUS
1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, rel-
Fire Opal8117
(2S,3R)-epoxiconazole
(2RS,3SR)-1-(3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole
CHEBI:83759
1-rel-[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-ylmethyl]-1H-[1,2,4]triazole
AKOS015899598
epoxyconazole
1H-1,2,4-TRIAZOLE, 1-((3-(2-CHLOROPHENYL)-2-(4-FLUOROPHENYL)OXIRANYL)METHYL)-, CIS-(+/-)-
MS-24948
HY-119683
ZMYFCFLJBGAQRS-IAGOWNOFSA-N
rel-1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl)methyl)-1H-1,2,4-triazole
1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
EPOXICONAZOLE [MI]
476648-91-6
1H-1,2,4-triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl)methyl)-, rel-
(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole

MDL Number

MFCD01310636

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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