(3,4-Dichlorophenoxy)acetic acid (HCID 11495)

Overview

3,4-dichlorophenoxyacetic acid is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines. It has a role as a phenoxy herbicide.

Names & identifiers

Preferred name: (3,4-Dichlorophenoxy)acetic acid
IUPAC: 2-(3,4-dichlorophenoxy)acetic acid
English name: 3,4-D
Molecular formula: C8H6Cl2O3
Molecular weight: 221.04

Names & synonyms

2-(3,4-dichlorophenoxy)acetic acid3,4-Dichlorophenoxyacetic acid588-22-7(3,4-Dichlorophenoxy)acetic acid3,4-DAZT6YT42EV4NSC-39017NSC-525057CHEBI:393747DTXSID70207524RefChem:91037DTXCID20130015

Show more names

3,4-d (iso)3,4-D solutionLABOTEST-BB LT00233086Adrenaline Impurity 70(3,4-dichlorophenoxy)-aceticaci2-(3,4-dichlorophenoxy)ethanoic acid

209-612-43,4-DMFCD00004303NSC 39017Acetic acid, (3,4-dichlorophenoxy)-NSC 5250572-(3,4-dichlorophenoxy)aceticacidAcetic acid, 2-(3,4-dichlorophenoxy)-

Database identifiers

CAS: 588-22-7
PubChem CID: 11495
DTXSID: DTXSID70207524
ChEMBL: CHEMBL175414
ChEBI: CHEBI:393747
UNII: ZT6YT42EV4
EC Number: 209-612-4
Nikkaji: J6.747D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Experimental & physicochemical properties

LogP2.81

Physicochemical properties

Melting point: 138 · 138-140 °C(lit.)
Boiling point: 316.96 °C · 316.96°C (rough estimate)
Density: 1.4564 · 1.4564 (rough estimate)
refractive index: 1.5 · 1.5000 (estimate)
Flash point: 2 °C · 2 °C
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 2.99 · 2.99±0.10(Predicted)
color: White
Water Solubility: 457.6 mg/L · 457.6mg/L(25 ºC)
InChI: 1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey: SNYRXHULAWEECU-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc(Cl)c(Cl)c1
FDA UNII: 6 YT42EV4 · ZT6YT42EV4
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,Xn,F
Risk Statements: 36 · 36/37/38-36-20/21/22-11
Safety Statements: 26 · 26-37/39-36-16
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 6830000 · AG6830000
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 2918999090 · 2918999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (15.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: AG6830000
ridadr: 2811
hs_code: 2918999090
risk_code: 36/37/38-36-20/21/22-11
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn,F
safety_code: 26-37/39-36-16
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H317-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses3,4-Dichlorophenoxyacetic acid was used in the synthesis of layered organic-inorganic nanohybrid material, zinc-aluminum-3,4-dicholorophenoxyacetate.

General Description3,4-Dichlorophenoxyacetic acid is a phenoxyacetic herbicide.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Aladdin Scientific[email protected]

Additional notes

DefinitionChEBI: A chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines.