5-Methylpicolinic acid (HCID 199575)

Names & identifiers

Preferred name: 5-Methylpicolinic acid
IUPAC: 5-methylpyridine-2-carboxylic acid
English name: 5-Methylpicolinic acid
Molecular formula: C7H7NO2
Molecular weight: 137.14

Names & synonyms

5-Methylpicolinic acid5-Methylpyridine-2-carboxylic acidRefChem:537305692-330-24434-13-3MFCD017043582-Pyridinecarboxylic acid, 5-methyl-Picolinic acid, 5-methyl-5-Methyl-2-pyridinecarboxylic acid5-methylpicolic acid5-methyl picolinic acidBRN 0112043

Show more names

5-methyl-picolinicaci5-Methylpicolinic acid ,97%2-Carboxy-5-Methyl pyridine5-methyl-2-pyridinecarboxylicaci5-methylpyridine-2-carboxylicaci5-methyl-2-pyridinecarboxylicacid2-Carboxylic acid-5-methylpyridine

5-methyl-pyridine-2-carboxylic acidSCHEMBL826205-22-02-00333 (Beilstein Handbook Reference)SCHEMBL129542SCHEMBL14632370SCHEMBL29954297DTXSID50196144HWMYXZFRJDEBKC-UHFFFAOYSA-N

Database identifiers

CAS: 4434-13-3
PubChem CID: 199575
DTXSID: DTXSID50196144
EC Number: 692-330-2
Nikkaji: J107.183A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 164 · 164-166 °C
Boiling point: 317.1 · 317.1±22.0 °C(Predicted)
Density: 1.23 · 1.230±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 1.11 · 1.11±0.50(Predicted)
color: Off-white
InChI: 1S/C7H7NO2/c1-5-2-3-6(7(9)10)8-4-5/h2-4H,1H3,(H,9,10)
InChIKey: HWMYXZFRJDEBKC-UHFFFAOYSA-N
SMILES: Cc1ccc(nc1)C(O)=O
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352106 · 12352106
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Risk Statements: 22 · 22-36/37/38
Safety Statements: 24 · 24/25-33
WGK Germany: 1 · WGK 1
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (75%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (25%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)