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Structure

Butyl 2,4-Dichlorophenoxyacetate

CAS
94-80-4
Catalog Number
ACM94804
Category
Other Products
Molecular Weight
277.15
Molecular Formula
C12H14Cl2O3

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Specification

Synonyms
Fernesta, Lironox, Butapon, Component Orange, Purple Component, The Crop Rider, Esso Herbicide 10, Butyl ester 2,4-D, Line Rider 4T, Shell 40, 2,4-D n-butyl ester, Orange II Component, Lironox 326, Weed-Rhap B-4D, Weed-Rhap B-6D, Millers 4# Ester, Millers 6# Ester, Butyl 2,4-D, 2,4-D esters, Butyl ester of 2,4-D
IUPAC Name
butyl 2-(2,4-dichlorophenoxy)acetate
Canonical SMILES
CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI Key
UQMRAFJOBWOFNS-UHFFFAOYSA-N
Boiling Point
146-147ºC
Melting Point
9ºC
Flash Point
146-147ºC
Density
1.24 g/cm³
Appearance
Light brown to brown liquid oil
EC Number
202-364-8
Exact Mass
276.03200
Hazard Statements
Xn:Harmful
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S29-S36/37-S46-S60-S61
Stability
Stable. Incompatible with strong oxidizing agents.
UN Number
3082
What is the molecular formula of Butyl 2,4-Dichlorophenoxyacetate according to the reference?

The molecular formula of Butyl 2,4-Dichlorophenoxyacetate is C12H14Cl2O3.

When was Butyl 2,4-Dichlorophenoxyacetate created according to the reference?

Butyl 2,4-Dichlorophenoxyacetate was created on March 26, 2005.

What is the molecular weight of Butyl 2,4-Dichlorophenoxyacetate?

The molecular weight of Butyl 2,4-Dichlorophenoxyacetate is 277.14 g/mol.

What is the IUPAC name of Butyl 2,4-Dichlorophenoxyacetate?

The IUPAC name of Butyl 2,4-Dichlorophenoxyacetate is butyl 2-(2,4-dichlorophenoxy)acetate.

How many hydrogen bond acceptor counts are there in Butyl 2,4-Dichlorophenoxyacetate?

There are 3 hydrogen bond acceptor counts in Butyl 2,4-Dichlorophenoxyacetate.

What is the InChIKey of Butyl 2,4-Dichlorophenoxyacetate?

The InChIKey of Butyl 2,4-Dichlorophenoxyacetate is UQMRAFJOBWOFNS-UHFFFAOYSA-N.

What is the formal charge of Butyl 2,4-Dichlorophenoxyacetate?

The formal charge of Butyl 2,4-Dichlorophenoxyacetate is 0.

How many rotatable bond counts are there in Butyl 2,4-Dichlorophenoxyacetate?

There are 7 rotatable bond counts in Butyl 2,4-Dichlorophenoxyacetate.

What is the canonical SMILES of Butyl 2,4-Dichlorophenoxyacetate?

The canonical SMILES of Butyl 2,4-Dichlorophenoxyacetate is CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl.

What is the topological polar surface area of Butyl 2,4-Dichlorophenoxyacetate?

The topological polar surface area of Butyl 2,4-Dichlorophenoxyacetate is 35.5 Å2.

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