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2,4-D Isobutyl ester

2,4-D Isobutyl ester structure

CAS No:
1713-15-1
Formula:
C12H14Cl2O3
Chemical Name:
2,4-D Isobutyl ester
Synonyms:
Acetic acid,2-(2,4-dichlorophenoxy)-,2-methylpropyl ester;Acetic acid,(2,4-dichlorophenoxy)-,isobutyl ester;Acetic acid,(2,4-dichlorophenoxy)-,2-methylpropyl ester;Isobutyl 2,4-dichlorophenoxyacetate;2,4-Dichlorophenoxyacetic acid isobutyl ester;Isobutyl 2,4-D;2,4-D Isobutyl ester;NSC 409768
Categories:
Agrochemicals > Herbicides

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2,4-D Isobutyl ester Basic Attributes

Molecular Weight：

277.14

Exact Mass：

277.14

EC Number：

216-992-5

UNII：

R10W5VXM7E

NSC Number：

409768

DSSTox ID：

DTXSID6041347

HScode：

2918990090

Characteristics

PSA：

35.5

XLogP3：

3.57140

Density：

1.238±0.06 g/cm3(Predicted)

Melting Point：

7ºC

Boiling Point：

133-134 °C @ Press: 1 Torr

Flash Point：

128.9ºC

Refractive Index：

1.516

Storage Conditions：

Store at ambient temperatures with open venting.

Vapor Pressure：

0.0001mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3348

Precautionary statement(s)：

P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 20 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:277.14
XLogP3:4.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:276.0319997
Monoisotopic Mass:276.0319997
Topological Polar Surface Area:35.5
Heavy Atom Count:17
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes