Basic information
- Standard SMILES
Cc1cc(C(=O)O)cc(Cl)n1- InChIKey
ZGZMEKHQIZSZOH-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO2
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.00870611
Overview
2-Chloro-6-methylisonicotinic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 2-Chloro-6-methylpyridine-4-carboxylic acid
- IUPAC
- 2-chloro-6-methylpyridine-4-carboxylic acid
- English name
- 2-Chloro-6-methylpyridine-4-carboxylic acid
- Molecular formula
- C7H6ClNO2
- Molecular weight
- 171.58
Names & synonyms
25462-85-52-Chloro-6-methylpyridine-4-carboxylic acidDTXSID30180147RefChem:86354DTXCID40102638626-878-0ZGZMEKHQIZSZOH-UHFFFAOYSA-N2-Chloro-6-methylisonicotinic acidMFCD000528302-chloro-6-methyl-pyridine-4-carboxylic acid2-Chloro-6-methylisonicotinicacidCHEBI:194645
Show more names
BUTTPARK 43\57-36TIMTEC-BB SBB0054296-Chloro-4-cyanopicolinic acid2-CHLORO-6-PICOLINE-4-CARBOXYLIC ACID2-Chloro-6-methylisonicotinic Acid >2-CHLORO-6-METHYLPYRIDINE-4-CARBOXYLIC &2-Chloro-6-methyl-pyrid-3-carboxylic acid2-Chloro-6-methylpyridine-4-carboxylicaci2-chloro-6-Methyl-4-pyridinecarboxylicacid
CS-D0955CL0087AC-7397SY006023EN300-828512-CHLORO-6-METHYL-4-PYRIDINECARBOXYLIC ACID4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-BCP11279
Database identifiers
- CAS
25462-85-5- PubChem CID
- 141209
- DTXSID
DTXSID30180147- ChEMBL
CHEMBL5084875- ChEBI
CHEBI:194645- EC Number
- 626-878-0
- Nikkaji
- J307.788H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 208 · 208-212 °C (dec.) (lit.)
- Boiling point
- 399 · 399.0±37.0 °C(Predicted)
- Density
- 1.39 · 1.390±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.07 · 3.07±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 122809 · 122809
- InChI
- InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3H,1H3,(H,10,11)
- InChIKey
- ZGZMEKHQIZSZOH-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C)=CC(C(O)=O)=C1
- CAS DataBase Reference
- 25462 · 25462-85-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-43-20/21/22
- Safety Statements
- 26 · 26-36/37/39-22-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- 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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 47 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, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-43-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-22-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: 2-Chloro-6-methylisonicotinic acid is a member of pyridines and an aromatic carboxylic acid.
Related reactions
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Linked notes
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