CAS 14237-71-9 2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile (HCID 223261)

Names & identifiers

Preferred name: 2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
IUPAC: 2-chloro-4,6-dimethylpyridine-3-carbonitrile
English name: 2-Chloro-3-cyano-4,6-dimethylpyridine
Molecular formula: C8H7ClN2
Molecular weight: 166.61

Names & synonyms

2-chloro-4,6-dimethyl-3-pyridinecarbonitrileRefChem:468790625-186-614237-71-92-Chloro-4,6-dimethylnicotinonitrile2-Chloro-3-cyano-4,6-dimethylpyridine2-Chloro-4,6-dimethylpyridine-3-carbonitrileMFCD000516762-CHLORO-4,6-DIMETHYL-NICOTINONITRILENSC-107322-chloro-4,6-dimethyl-pyridine-3-carbonitrile3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-

Show more names

EOS-60842AKOS BC-3128BUTTPARK 59\40-61AKOS BBS-00002510IFLAB-BB F1371-0162Opicapone Impurity 206-diMethylnicotinonitrile2-Chloro-3-cyano-4,6-dimethylpyridine,98%

NSC107328V4PET5LNGMLS000417104SCHEMBL318407CHEMBL1519270SCHEMBL29420807DTXSID50278939HMS1646O06

Database identifiers

CAS: 14237-71-9
PubChem CID: 223261
DTXSID: DTXSID50278939
ChEMBL: CHEMBL1519270
UNII: 8V4PET5LNG
EC Number: 625-186-6
Nikkaji: J266.770C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 98 · 98-99°C
Boiling point: 305.3 · 305.3±37.0 °C(Predicted)
Density: 1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: -0.41 · -0.41±0.10(Predicted)
color: White to Almost white
BRN: 131348 · 131348
InChI: InChI=1S/C8H7ClN2/c1-5-3-6(2)11-8(9)7(5)4-10/h3H,1-2H3
InChIKey: RETJKTAVEQPNMH-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(C)=C1C#N
CAS DataBase Reference: 14237 · 14237-71-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 261 · P261-P280-P301+P310-P305+P351+P338
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38-41-37/38-25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (87%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 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 CategoriesAcute Tox. 3 (87%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 36/37/38-41-37/38-25
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P310-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Chloro-3-cyano-4,6-dimethylpyridine is mainly used as an organic synthesis intermediate and can be used to prepare polysubstituted pyridine bioactive molecules. For example, there are patent reports that this substance can be used to synthesize protein kinase (CDK) inhibitors.