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| CAS No.: | 88671-89-0 |
|---|---|
| Name: | Myclobutanil |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H17ClN4 |
| Molecular Weight: | 288.78 |
| 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; |
| EINECS: | 922-940-9 |
| Density: | 1.16 g/cm3 |
| Melting Point: | 63-68 °C |
| Boiling Point: | 465.2 °C at 760 mmHg |
| Flash Point: | 235.2 °C |
| Solubility: | 142 mg/L (25 °C) in water |
| Appearance: | Off-White to Light Beige Solid |
| Hazard Symbols: |
 Xn,  N
|
| Risk Codes: | 22-36-51/53-63 |
| Safety: | 36/37-46-61 |
| Transport Information: | UN 3077 |
| PSA: | 54.50000 |
| LogP: | 3.58328 |
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Chemistry
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
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.
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. |
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
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 .