1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (103112-35-2),1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (103112-35-2) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester
Superlist Name:
Fenchlorazol-ethyl
CAS No.:
103112-35-2
Molecular Structure:
Formula:
C₁₂H₈Cl₅N₃O₂
Molecular Weight:
403.48
Synonyms:
Fenchlorazole-Et;HOE 070542;
EINECS:
401-290-5
Density:
1.65 g/cm³
Boiling Point:
469.8 °C at 760 mmHg
Flash Point:
237.9 °C
Transport Information:
UN3077 9/PG 3

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Chemistry

IUPAC Name: Ethyl 1-(2,4-Dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
Following is the structure of 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (CAS NO.103112-35-2):

Empirical Formula: C₁₂H₈Cl₅N₃O₂
Molecular Weight: 403.4758 g/mol
EINECS: 401-290-5
Index of Refraction: 1.645
Molar Refractivity: 88.4 cm³
Molar Volume: 243.8 cm³
Density: 1.65 g/cm³
Flash Point: 237.9 °C
Melting Point 110 °C
Surface Tension: 53 dyne/cm
Enthalpy of Vaporization: 73.22 kJ/mol
Boiling Point: 469.8 °C at 760 mmHg
Vapour Pressureof 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (CAS NO.103112-35-2): 5.35E-09 mmHg at 25 °C
Water Solubility of 1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester (CAS NO.103112-35-2): 0.9 mg/L at 20 °C
Canonical SMILES: CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
InChIKey: GMBRUAIJEFRHFQ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2gm/kg (2000mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	National Technical Information Service. Vol. OTS0524063-1,
rabbit	LD50	skin	> 2gm/kg (2000mg/kg)	GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0524063-1,
rat	LD50	inhalation	> 1520mg/m3 (1520mg/m3)	GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0524063-1,
rat	LD50	intraperitoneal	910mg/kg (910mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	National Technical Information Service. Vol. OTS0524063-1,
rat	LD50	oral	> 5gm/kg (5000mg/kg)	GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0524063-1,
rat	LD50	skin	> 2gm/kg (2000mg/kg)	GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0524063-1,

Safety Profile

RIDADR: UN3077 9/PG 3

Specification

1H-1,2,4-Triazole-3-carboxylicacid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester , its cas register number is 103112-35-2. It also can be called Fenchlorazole-Et ; and Fenchlorazole-ethyl .