CAS 3222-56-8 2-Methylnicotinic acid (HCID 643373)

Overview

2-Methylnicotinic acid has been reported in Aenictus with data available.

Names & identifiers

Preferred name: 2-Methylnicotinic acid
IUPAC: 2-methylpyridine-3-carboxylic acid
English name: 2-Methylnicotinic acid
Molecular formula: C7H7NO2
Molecular weight: 137.14

Names & synonyms

2-methylnicotinic acid3222-56-8DTXSID30349156RefChem:88346DTXCID90300228InChI=1/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,102-Methylpyridine-3-carboxylic acid2-Methyl-nicotinic acid3-pyridinecarboxylic acid, 2-methyl-MFCD000134492-methyl nicotinic acidmethylnicotinic acid

Show more names

TIMTEC-BB SBB0041962-Methylnicotin Acid2-Methylnicotinnic acid2-MethylnicotinicAcid>2-Methylnicotinic acid,98+%2-Picoline-3-carboxylic Acid2-Methylnicotinic acid, 98+% 1GR2-Methylpyridin-3-carboxylic acid

2-MethylnicotinicacidAKOS002665630CS-W002091PS-5559SY0070142-METHYL-3-PYRIDINECARBOXYLIC ACIDM2089EN300-72813

Database identifiers

CAS: 3222-56-8
PubChem CID: 643373
DTXSID: DTXSID30349156
UNII: 5LSJ5AL59F
EC Number: 628-913-5
Nikkaji: J308.153B

Properties

Computed structural properties

XLogP: 0.8
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: 228 · 228-230 °C (dec.)(lit.)
Boiling point: 280.4 · 280.4±20.0 °C(Predicted)
Density: 1.23 · 1.230±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 1.95 · 1.95±0.10(Predicted)
form: Powder or Crystalline
color: Off-white to light brown
BRN: 114333 · 114333
InChI: InChI=1S/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,10)
InChIKey: HNTZKNJGAFJMHQ-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1C(O)=O
CAS DataBase Reference: 3222 · 3222-56-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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

Hazard information

Regulatory Information3-Pyridinecarboxylic acid, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Methylpyridine-3-carboxylic acid was used in synthesis of 1,8-dioxo-1,2,7,8-tetrahydro-2,7,10-triaza-anthracene-4,5-dicarbaldehydes (DOTTADs) and their imines. It was also used in synthesis of 7,7-dichloro-5,7-dihydro-thieno[3,4-b]pyridin-5-one.

UsesNicotinic acid (NN429250) derivative.