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Myclobutanil

CAT: 0572-TRC-M831400-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M831400-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88671-89-0
Synonyms
1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-; α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile; (±)-Myclobutanil; Deccotanil; Eagle; Fungiben; HOE 39304F; Laredo 25EC; Laredo 25EW; Myclobutanil; Mycloss Xtra; Nova; Nova (pesticide); Nova 40W; Nova W; Nu-Flow M; RH 3866; Rally; Spectracide Immunox Multi-Purpose Fungicide; Systhane; Systhane 12E; Systhane 40W; Systhane 6 Flo
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
Molecular Formula
C15 H17 Cl N4
Molecular Weight
288.78
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
Additionnal Information
IUPAC name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Myclobutanil

Myclobutanil can cause developmental toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number88671-89-0
PubChem CID6336
IUPAC Name2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Molecular FormulaC15H17ClN4
Molecular Weight288.77
XLogP2.9
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity345
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
Chemical Structure
2D Structure
2D structure of Myclobutanil
CAS: 88671-89-0
CID: 6336
Formula: C15H17ClN4
MW: 288.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.77
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass288.1141743
Monoisotopic Mass288.1141743
Topological Polar Surface Area54.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
165061Myclobutanil
HY-W654282Myclobutanil-d9
T71341-01Myclobutanil hydroxide
HY-B2148R-01Myclobutanil (Standard)
CS-O-57268Myclobutanil D4

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