2-Chloro-6-methylnicotinic acid (HCID 121724)

Names & identifiers

Preferred name: 2-Chloro-6-methylnicotinic acid
IUPAC: 2-chloro-6-methylpyridine-3-carboxylic acid
English name: 2-Chloro-6-methylnicotinic acid
Molecular formula: C7H6ClNO2
Molecular weight: 171.58

Names & synonyms

2-Chloro-6-methylnicotinic acid30529-70-5EINECS 250-229-7DTXSID90184585RefChem:469699DTXCID30107076250-229-72-chloro-6-methylpyridine-3-carboxylic acid2-Chloro-6-methyl-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-chloro-6-methyl-MFCD001341652-Chloro-6-methylnicotinicacid

Show more names

4-Chloro-6-methylnicotinic acidRARECHEM AL BO 06836-METHYL-2-CHLORO NICOTINIC ACID2-Chlroro-6-Methylnicotinic Acid2-Chloro-6-methylnicotinicacid,97%2-Chloro-6-methylnicotinic acid 98%3-CARBOXY-2-CHLORO-6-METHYLPYRIDINE

2-Chloro-6-methyl nicotinic acidUNII-6HJ6V3KP7Q6HJ6V3KP7QSY009352TIMTEC-BB SBB003843SCHEMBL4006742-Chloro-6-methyl-nicotinic acidALBB-005466

Database identifiers

CAS: 30529-70-5
PubChem CID: 121724
DTXSID: DTXSID90184585
UNII: 6HJ6V3KP7Q
EC Number: 250-229-7
Nikkaji: J287.361C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 162 · 162-164 °C (lit.)
Boiling point: 163 °C · 163 °C / 22mmHg
Density: 1.3246 · 1.3246 (rough estimate)
refractive index: 1.556 · 1.5560 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Crystalline Powder
pka: 2.28 · 2.28±0.28(Predicted)
color: White to yellow to beige
BRN: 473070 · 473070
InChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)
InChIKey: ACQXHCHKMFYDPM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1C(O)=O
CAS DataBase Reference: 30529 · 30529-70-5(CAS DataBase Reference)
FDA UNII: 6 HJ6V3KP7Q · 6HJ6V3KP7Q
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
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 46 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, Gloves
wgk: 3
hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
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: P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 2 items

Uses2-Chloro-6-methylpyridine-3-carboxylic acid (2-Chloro-6-methylnicotinic acid) may be used in the synthesis of 6-methyl-2-thiophenoxynicotinic acid, required for the preparation of europium complex for staining the nucleolus of NIH 3T3, HeLa and HDF cells.

General Description2-Chloro-6-methylpyridine-3-carboxylic acid (2-Chloro-6-methylnicotinic acid) is a nicotinic acid derivative.