2,4,6-Trichlorophenoxyacetic acid

HCID 11331CAS 575-89-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)COc1c(Cl)cc(Cl)cc1Cl
InChIKey
KZDCLQBOHGBWOI-UHFFFAOYSA-N
Molecular formula
C8H5Cl3O3
Average molar mass
255.5 g/mol
Monoisotopic mass
253.930427

Names & identifiers

Preferred name
2,4,6-Trichlorophenoxyacetic acid
IUPAC
2-(2,4,6-trichlorophenoxy)acetic acid
English name
2,4,6-TRICHLOROPHENOXYACETIC ACID
Molecular formula
C8H5Cl3O3
Molecular weight
255.48

Names & synonyms

2,4,6-TRICHLOROPHENOXYACETIC ACID(2,4,6-Trichlorophenoxy)acetic acidAcetic acid, (2,4,6-trichlorophenoxy)-EINECS 209-394-0NSC 61993BRN 1117315A84A99QB9OAI3-09412NSC-61993Acetic acid, 2-(2,4,6-trichlorophenoxy)-DTXSID702061134-06-00-01011 (Beilstein Handbook Reference)
Show more names
AURORA 219672,4,6-T STANDARDAKOS BBS-00007917Bifeprunox Impurity 58Prochloraz metabolite 32,4,6-T in Acetonitrile(2,4,6-trichlorophenoxy)-aceticaci2,4,6-TRICHLOROPHENOXYACETIC ACID 98+%
RefChem:442889DTXCID70128604209-394-0575-89-32-(2,4,6-trichlorophenoxy)acetic acidMFCD00053498UNII-A84A99QB9ONSC61993

Database identifiers

CAS
575-89-3
PubChem CID
11331
DTXSID
DTXSID70206113
ChEMBL
CHEMBL173077
UNII
A84A99QB9O
EC Number
209-394-0
Nikkaji
J188.445J

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
185 °C · 185°C
Boiling point
361.82 °C · 361.82°C (rough estimate)
Density
1.6048 · 1.6048 (rough estimate)
refractive index
1.47 · 1.4700 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationAcetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (95%)；Eye Irrit. 2 (97.5%)

Regulatory information

Regulatory InformationAcetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

rtecs
AJ8405000
ridadr
UN 2811 6.1/PG III
hs_code
2918.99.4700
risk_code
20/21/22-36/37/38-40
Signal word
Danger
Symbol(GHS)
GHS06

Chemistry & industry

Applications

Uses(2,4,6-Trichlorophenoxy)acetic Acid is suitable for plant cell culture testing. Post-emergence herbicide.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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