Agent orange
Also known as (2,4-Dichlorophenoxy)acetic acid, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate, Orange, Agent, 2,4,D/2,4,5,T
Key facts
What buyers check first
- CAS number
- 39277-47-9
- Formula
- C24H27Cl5O6
- Molar mass
- 588.74 g/mol
- HS code
- 291899
- Category
- Herbicides
What is Agent orange?
Plain description, key identifiers and synonyms
Agent Orange is code name for a synthetic defoliant developed for military use. Agent Orange is a mixture of two chemicals, 2,4, dichlorophenoxyacetic acid (2,4-D) and 2,4,5 trichlorophenoxyacetic acid (2,4,5-T). The toxicity of Agent Orange is due to by-products from metabolic processes upon intake. The toxic by products are dioxin derivatives, which have been linked to the wasting syndrome, gastric ulcer, cancer, immunotoxicity, hepatotoxicity, vascular lesions, teratogenicity, and impaired reproductive performance. (NCI04)
Agent orange is a military herbicide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- butyl 2-(2,4-dichlorophenoxy)acetate, butyl 2-(2,4,5-trichlorophenoxy)acetate
- CAS number
- 39277-47-9 CAS number cross-checked
- Molecular formula
- C24H27Cl5O6
- UNII
- KQW750JQE5
- InChIKey
- OLAOGBRYSBMLAO-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H13Cl3O3.C12H14Cl2O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15;1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h5-6H,2-4,7H2,1H3;4-5,7H,2-3,6,8H2,1H3
- SMILES (canonical and isomeric)
- CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl.CCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
Synonyms
- (2,4-Dichlorophenoxy)acetic acid, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate
- Orange, Agent
- 2,4,D/2,4,5,T
- (2,4,5-Trichlorophenoxy)acetic acid-(2,4-dichlorophenoxy)acetic acid (1:1)
- 2,4-D butyl ester mixt. with 2,4,5-T butyl ester
- butyl 2-(2,4-dichlorophenoxy)acetate, butyl 2-(2,4,5-trichlorophenoxy)acetate
- (2,4,5-trichlorophenoxy)acetic acid - (2,4-dichlorophenoxy)acetic acid (1:1)
- Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate
- Acetic acid, 2,4-dichlorophenoxy-, butyl ester and 2,4,5-trichlorophenoxyacetic acid (45.5%:48.2%)
- Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, mixt. with butyl 2-(2,4,5-trichlorophenoxy)acetate (1:1)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 588.74 g/molcalc.Computed value |
|---|---|
| Exact mass | 586.025 Dacalc.Computed value |
| LogP (octanol/water) | 8.08calc.Computed value |
| Topological polar surface area | 71.06 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 12calc.Computed value |
| Heavy atoms | 35calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.42calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Agent orange suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Agent orange can send you quotes. Your contact details stay private until you accept a quote.
Agent orange price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Defoliants, Chemical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Agent orange is traded under.
Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…
- United States25.6%
- Brazil6.7%
- Argentina5.9%
* Partner reported figures, a lower bound.
The HS code shown for Agent orange is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Frequently asked questions
Quick answers about Agent orange, based on the data on this page
What is Agent orange?
What is the CAS number of Agent orange?
What is the molecular formula and weight of Agent orange?
What is Agent orange used for?
Is Agent orange hazardous?
What is the HS code of Agent orange?
Where can I buy Agent orange?
What is the price of Agent orange?
Guides for buyers
Practical guides that help when you source, ship or handle Agent orange
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, RegulationREACH basics for non EU exportersWhat EU REACH requires, why non EU manufacturers use an only representative, tonnage bands, joint registration, exemptions, SDS and label duties, and practical steps.Read
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