CAS 33252-30-1 2-Chloro-4-cyanopyridine (HCID 568638)

Names & identifiers

Preferred name: 2-Chloro-4-cyanopyridine
IUPAC: 2-chloropyridine-4-carbonitrile
English name: 2-Chloro-4-cyanopyridine
Molecular formula: C6H3ClN2
Molecular weight: 138.55

Names & synonyms

2-Chloro-4-cyanopyridine33252-30-12-Chloroisonicotinonitrile2-Chloropyridine-4-carbonitrile2-Chloro-4-pyridinecarbonitrile4-Pyridinecarbonitrile, 2-chloro-Isonicotinonitrile, 2-chloro-DTXSID00340938Pyridine, 2-chloro-, 4-cyano-RefChem:86230DTXCID50292019608-852-0

Show more names

2-4 - cyanopyridine chloride -2-CHLORO-4-CYANOPYRIDINE 2-CHLORO-ISONICOTINONITRILE2-Chloro-4-pyridinecarbonitrile,2-Chloro-4-cyanopyridineCompound Fr13742BUTTPARK 43\57-012-Chloro-4-cyanopyri6-Chloro-4-cyanopyridine

QRXBTPFMCTXCRD-UHFFFAOYSA-N2-Chloro-isonicotinonitrile4-Cyano-2-chloropyridineMFCD00174318U2S8C7U4ER2-chloro-4-cyano pyridine4-cyano-2-chloropyridinUNII-U2S8C7U4ER

Database identifiers

CAS: 33252-30-1
PubChem CID: 568638
DTXSID: DTXSID00340938
UNII: U2S8C7U4ER
EC Number: 608-852-0
Nikkaji: J1.584.180J

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 69 · 69-73 °C(lit.)
Boiling point: 104 · 104-106°C 15mm
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
Flash point: 104 · 104-106°C/15mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -1.6 · -1.60±0.10(Predicted)
color: White to Almost white
BRN: 113927 · 113927
InChI: InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C#N)=C1
CAS DataBase Reference: 33252 · 33252-30-1(CAS DataBase Reference)
FDA UNII: 2 S8C7U4ER · U2S8C7U4ER
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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-36/37/39-36/37
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.4%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-36/37/39-36/37
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
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 · 1 item

Uses2-Chloro-4-cyanopyridine is an intermediate used to prepare pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). It is also used to synthesize pyridinyl-tetrazoles as scaffold to identify matrix MMP-13 inhibitors for treatment of osteoarthritis.