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Myclobutanil

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Myclobutanil

EINECS 922-940-9
CAS No. 88671-89-0 Density 1.16 g/cm3
PSA 54.50000 LogP 3.58328
Solubility 142 mg/L (25 °C) in water Melting Point 63-68 °C
Formula C15H17ClN4 Boiling Point 465.2 °C at 760 mmHg
Molecular Weight 288.78 Flash Point 235.2 °C
Transport Information UN 3077 Appearance Off-White to Light Beige Solid
Safety 36/37-46-61 Risk Codes 22-36-51/53-63
Molecular Structure Molecular Structure of 88671-89-0 (Myclobutanil) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Systhane;Nu-Flow M;Nova (pesticide);Rally;Systhane 6 Flo;RH 3866;1H-1,2,4-Triazole-1-propanenitrile,R-butyl- R-(4-chlorophenyl)-;NOVA W;RH-53,866;NOVA;α-butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile;1H-1,2,4-Triazole-1-propanenitrile, --butyl---(4-chlorophenyl)-;2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile;(RS)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile;

Article Data 7

Myclobutanil Chemical Properties

IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile 
Empirical Formula: C15H17ClN4
Molecular Weight: 288.7753
Structure of Myclobutanil (CAS NO.88671-89-0):

Index of Refraction: 1.588
Molar Refractivity: 83.5 cm3
Molar Volume: 247.8 cm3
Polarizability: 33.1×10-24cm3
Surface Tension: 44.6 dyne/cm
Density: 1.16 g/cm3
Flash Point: 235.2 °C
Enthalpy of Vaporization: 72.68 kJ/mol 
Melting Point: 63-68°C
Boiling Point: 465.2 °C at 760 mmHg
Vapour Pressure: 7.82E-09 mmHg at 25°C 
Storage temp: 0-6°C
Water Solubility: 142 mg/L (25 ºC) 
Product Categories: FUNGICIDE;METI - MZ;Alpha sort;ConazolesPesticides&Metabolites;Fungicides;H-MAlphabetic;M;Pesticides 
Canonical SMILES: CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
InChIKey: HZJKXKUJVSEEFU-UHFFFAOYSA-N

Myclobutanil Uses

 Myclobutanil (CAS NO.88671-89-0) is a triazole chemical used as a fungicide.

Myclobutanil is an fungicide used on a wide range of food crops. Myclobutanil inhibits the biosynthesis of ergosterol, a critical componet of fungal cell membranes.

 

Myclobutanil Toxicity Data With Reference

1.    

orl-rat LD50:1600 mg/kg

    PEMNDP    Pesticide Manual. 9 (1991),601.
2.    

ihl-rat LC50:>5 g/m3

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C291.
3.    

skn-rat LDLo:2229 mg/kg

    DEVEAA    Defense des Vegetaux. 40 (242)(1986),9.
4.    

orl-mus LDLo:1300 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. OTS0570641 .
5.    

skn-rbt LD50:7500 mg/kg

    PBCDDQ    Proceedings-British Crop Protection Conference-Pests and Diseases .(British Crop.,Croydon, UK.: )1986,55.

Myclobutanil Safety Profile

Moterately toxic by ingestion, inhalation, and skin contact. Experimental reproductive effects. When heated to decomposition emits toxic fumes of NOx, SOx, Cl.
The Hazard Codes of Myclobutanil (CAS NO.88671-89-0):  Xn;  N
The Risk Statements information of Myclobutanil (CAS NO.88671-89-0):
22:  Harmful if swallowed 
36:  Irritating to the eyes 
63:  Possible risk of harm to the unborn child 
51/53:  Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 
The Safety Statements information of Myclobutanil (CAS NO.88671-89-0):
46:  If swallowed, seek medical advice immediately and show this container or label 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 
36/37:  Wear suitable protective clothing and gloves 
RIDADR: UN 3077
RTECS: XZ5257000

Myclobutanil Specification

  Myclobutanil , its cas register number is 88671-89-0. It also can be called 2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-
ylmethyl)hexanenitrile ; Nova (pesticide) ; Nu-Flow M ; Rally ; Systhane ; alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile .

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