2,6-Dichloroisonicotinic acid

HCID 94830
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Basic information

CAS
5398-44-7
Standard SMILES
O=C(O)c1cc(Cl)nc(Cl)c1
InChIKey
SQSYNRCXIZHKAI-UHFFFAOYSA-N
Molecular formula
C6H3Cl2NO2
Average molar mass
192 g/mol
Monoisotopic mass
190.9540837

Overview

2,6-dichloroisonicotinic acid is a member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6. It has a role as an EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor. It is a monocarboxylic acid, a member of pyridines and an organochlorine compound.

Names & identifiers

Preferred name
2,6-Dichloroisonicotinic acid
IUPAC
2,6-dichloropyridine-4-carboxylic acid
English name
2,6-Dichloroisonicotinic acid
Molecular formula
C6H3Cl2NO2
Molecular weight
192

Names & synonyms

2,6-Dichloroisonicotinic acid5398-44-7CHEBI:73179DTXSID20202286RefChem:83190DTXCID201247772,6-dichloroisonicotinic acid;2,6-dichloropyridine-4-carboxylic acid2,6-Dichloropyridine-4-carboxylic acid2,6-Dichloro-4-pyridinecarboxylic acid2,6-Dichloro-isonicotinic acid4-Pyridinecarboxylic acid, 2,6-dichloro-MFCD00234147
Show more names
CGA-41396BUTTPARK 43\57-46AKOS BBS-00006615RARECHEM AL BO 0824TIMTEC-BB SBB0036212,6-dichloroisonicotinicaciDichloropyridinecarboxylicacid2,6-DichloroisonicotinicAcid>
2,6-DichloroisonicotinicacidSCHEMBL562042,6-Dichloroisonicotinic acid #HMS1409C03CS-W007536AC-1716PS-3149NCGC00339059-01

Database identifiers

CAS
5398-44-7
PubChem CID
94830
DTXSID
DTXSID20202286
ChEMBL
CHEMBL2447891
ChEBI
CHEBI:73179
EC Number
611-076-5
Nikkaji
J81.020G

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
209 · 209-212 °C(lit.)
Boiling point
437.8 · 437.8±40.0 °C(Predicted)
Density
1.612 · 1.612±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses2,6-Dichloroisonicotinic acid is a derivative of isonicotinic acid (I821760). Treatment of oat cultivars using 2,6-dichloroisonicotinic acid results in an increased accumulation of avenathramide. 2,6-Dichloroisonicotinic acid is a well known inducer of plant resistance and induces the transcription of ZmNAC100 transcription factor.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6.

Related reactions

57 records
New reaction record

Compound notes

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