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2,4-Dichloro-6-methylnicotinic acid

HCID 820405
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
56022-07-2
Standard SMILES
Cc1cc(Cl)c(C(=O)O)c(Cl)n1
InChIKey
CIVCELMLGDGMKZ-UHFFFAOYSA-N
Molecular formula
C7H5Cl2NO2
Average molar mass
206.02 g/mol
Monoisotopic mass
204.96973376

Names & identifiers

Preferred name
2,4-Dichloro-6-methylnicotinic acid
IUPAC
2,4-dichloro-6-methylpyridine-3-carboxylic acid
English name
2,4-DICHLORO-6-METHYLNICOTINIC ACID
Molecular formula
C7H5Cl2NO2
Molecular weight
206.03

Names & synonyms

2,4-dichloro-6-methylnicotinic acid56022-07-22,4-dichloro-6-methylpyridine-3-carboxylic acidMFCD030860072,4-DICHLORO-6-METHYLNICOTINICACIDAO-801/41077478SCHEMBL3227278SCHEMBL30593189DTXSID30356204CIVCELMLGDGMKZ-UHFFFAOYSA-NSBB052910AKOS016002608
Show more names
methyl 2,4-dichloro-6-methylnicotinate2,4-Dichloro-6-methylnicotinic acid 95%3-Pyridinecarboxylic acid, 2,4-dichloro-6-Methyl-2,4-Dichloro-6-methylpyridine-3-carboxylic acid, 3-Carboxy-2,4-dichloro-6-methylpyridine
AB13101TS-01502CS-0313980C756322,4-dichloro-6- methylpyridine-3-carboxylic acid2,4-dichloro-6-methyl-pyridine-3-carboxylic acidF720917

Database identifiers

CAS
56022-07-2
PubChem CID
820405
DTXSID
DTXSID30356204

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
188

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2933399990 · 2933399990

Safety & regulation

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

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

ETHYL 2,4-DICHLORO-6-METHYLPYRIDINE-3-CARBOXYLATESodium hydroxideSulfuric acid

Related reactions

10 records
New reaction record
HRID 834857 reaction equation
HRID 834857As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1063533 reaction equation
HRID 1063533As productuspto-grants-2005_11
HRID 1063572 reaction equation
HRID 1063572As productuspto-grants-2005_11
HRID 1545599 reaction equation
HRID 1545599As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1839369 reaction equation
HRID 1839369As productuspto-grants-2004_01
HRID 1839408 reaction equation
HRID 1839408As productuspto-grants-2004_01
HRID 2183776 reaction equation
HRID 2183776As productuspto-grants-2005_05
HRID 2183815 reaction equation
HRID 2183815As productuspto-grants-2005_05
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Compound notes

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