CAS No.133855-98-8,1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133855-98-8
Name:	1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Article Data:	24

Formula:	C₁₇H₁₃ClFN₃O
Molecular Weight:	329.761
Synonyms:	Epoxiconazole;Opal 7.5 EC;OPUS;
EINECS:	406-850-2
Density:	1.39 g/cm³
Boiling Point:	463.1 °C at 760 mmHg
Flash Point:	233.9 °C
Solubility:	8.42mg/L at 20℃
Appearance:	White to Off-White Solid
Hazard Symbols:	Xn, N
Risk Codes:	40-51/53-62-63
Safety:	36/37-46-61
Transport Information:	UN 3077
PSA:	43.24000
LogP:	3.73760

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Chemistry

IUPAC Name: 1-[[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Following is the structure of 1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel- (CAS NO.133855-98-8):

Empirical Formula: C₁₇H₁₃ClFN₃O
Molecular Weight: 329.756 g/mol
Molar Refractivity: 87.15 cm³
Molar Volume: 236.4 cm³
Density: 1.39 g/cm³
Flash Point: 233.9 °C
Index of Refraction: 1.658
Surface Tension: 49.8 dyne/cm
Enthalpy of Vaporization: 72.43 kJ/mol
Boiling Point of 1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel- (CAS NO.133855-98-8): 463.1 °C at 760 mmHg
Vapour Pressure of 1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel- (CAS NO.133855-98-8): 9.35E-09 mmHg at 25 °C
Canonical SMILES: C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
Isomeric SMILES: C1=CC=C(C(=C1)[C@@H]2[C@@](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

Uses

Epoxiconazole is a fungicide used to inhibit the metabolism and growth of mycelia.

Safety Profile

Hazard Codes: Harmful Xn, Dangerous N
Risk Statements: 40-51/53-62-63
R40:Limited evidence of a carcinogenic effect.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R62:Risk of impaired fertility.
R63:Possible risk of harm to the unborn child.
Safety Statements: 36/37-46-61
S36/37:Wear suitable protective clothing and gloves.
S46:If swallowed, seek medical advice immediately and show this container or label.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077

Specification

1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel- , its cas register number is 135319-73-2. It also can be called Epoxiconazol ; (2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole ; and 1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole . Its classification code is Fungicide.