CAS 2789-92-6 3,5-Dichloroanthranilic acid (HCID 76036)

Overview

a synthetic elicitor of disease resistance mechanisms in Arabidopsis

Names & identifiers

Preferred name: 3,5-Dichloroanthranilic acid
IUPAC: 2-amino-3,5-dichlorobenzoic acid
English name: 3,5-Dichloroanthranilic acid
Molecular formula: C7H5Cl2NO2
Molecular weight: 206.03

Names & synonyms

2-Amino-3,5-dichlorobenzoic acid2789-92-63,5-Dichloroanthranilic acidBenzoic acid, 2-amino-3,5-dichloro-Anthranilic acid, 3,5-dichloro-3,5-Dichloro-2-aminobenzoic acidPNM7XQN5SCAI3-17890NSC-1116DTXSID50182183RefChem:91482DTXCID60104674

Show more names

BUTTPARK 49\07-46RARECHEM AL BO 0770TIMTEC-BB SBB003493Tafamidis Impurity 2LABOTEST-BB LT002419523,5-dichloro-anthranilicaci3,5-DichloroanthranilicAcid>2-amino-3,5-dichlorobenzoicaci

220-520-32-amino-3,5-dichloro-benzoic acidMFCD000170882-Amino-35-dichlorobenzoic acidNSC11162-amino-3, 5-dichlorobenzoic acidNSC 1116EINECS 220-520-3

Database identifiers

CAS: 2789-92-6
PubChem CID: 76036
DTXSID: DTXSID50182183
ChEMBL: CHEMBL2447899
UNII: PNM7XQN5SC
EC Number: 220-520-3
Nikkaji: J7.914F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

LogP1.82

Physicochemical properties

Melting point: 227 · 227-230 °C(lit.)
Boiling point: 344.4 · 344.4±42.0 °C(Predicted)
Density: 1.4062 · 1.4062 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: Storage temperature: no restrictions.
solubility: Acetic Acid (Slightly, Heated), DMSO (Slightly)
form: Solid
pka: 4.2 · 4.20±0.10(Predicted)
color: White to Pale Yellow
Water Solubility: insoluble
BRN: 779100 · 779100
Major Application: peptide synthesis
InChI: InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey: KTHTXLUIEAIGCD-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Cl)=CC(Cl)=C1N
CAS DataBase Reference: 2789 · 2789-92-6(CAS DataBase Reference)
FDA UNII: 7 XQN5SC · PNM7XQN5SC
UNSPSC Code: 12352106 · 12352106
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 2 · 2
RTECS: 2800000 · CB2800000
HS Code: 29224985 · 29224985
Storage Class: 11 · 11 - Combustible Solids
Toxicity: 50 · mouse,LD50,oral,1320mg/kg (1320mg/kg),BEHAVIORAL: EXCITEMENTLUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzoic acid, 2-amino-3,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
rtecs: CB2800000
hs_code: 29224985
Toxicity: mouse,LD50,oral,1320mg/kg (1320mg/kg),BEHAVIORAL: EXCITEMENTLUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(6), Pg. 85, 1987.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses2-Amino-3,5-dichlorobenzoic acid, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.