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3-Pyridinecarboxylic acid, 2-(2,4-dichlorophenoxy)-

HCID 215892
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Basic information

CAS
36701-91-4
Standard SMILES
O=C(O)c1cccnc1Oc1ccc(Cl)cc1Cl
InChIKey
OEDCZDYPFJEWIH-UHFFFAOYSA-N
Molecular formula
C12H7Cl2NO3
Average molar mass
284.09 g/mol
Monoisotopic mass
282.9802985

Names & identifiers

Preferred name
3-Pyridinecarboxylic acid, 2-(2,4-dichlorophenoxy)-
IUPAC
2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
English name
3-Pyridinecarboxylic acid, 2-(2,4-dichlorophenoxy)-
Molecular formula
C12H7Cl2NO3
Molecular weight
284.09488

Names & synonyms

36701-91-42-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 2-(2,4-dichlorophenoxy)-2-(2,4-Dichlorophenoxy)-3-pyridinecarboxylic acidAcide 2-(2',4'-dichloro) phenoxy nicotinique [French]DTXSID50190162Acide 2-(2',4'-dichloro) phenoxy nicotiniqueRefChem:505187DTXCID60112653841-293-22-(2,4-dichlorophenoxy)nicotinic acid2-(2,4-Dichloro-phenoxy)-nicotinic acid
Show more names
SCHEMBL2336929OEDCZDYPFJEWIH-UHFFFAOYSA-N2-(2,4-dichlorophenoxy)nicotinicacidAKOS000142246CS-0251843EN300-56351G37637Z71177296

Database identifiers

CAS
36701-91-4
PubChem CID
215892
DTXSID
DTXSID50190162
EC Number
841-293-2

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
303

Physicochemical properties

EWG's Food Scores
1 · 1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H302-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H302-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

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Related reactions

3 records
New reaction record
HRID 1136601 reaction equation
HRID 1136601As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1877363 reaction equation
HRID 1877363As productuspto-grants-2012_11
HRID 1877364 reaction equation
HRID 1877364As reactantuspto-grants-2012_11

Compound notes

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