3-Chloropyridine-2-carbonitrile

HCID 818258

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Basic information

CAS: 38180-46-0
Standard SMILES: N#Cc1ncccc1Cl
InChIKey: YDPLFBIGFQFIDB-UHFFFAOYSA-N
Molecular formula: C6H3ClN2
Average molar mass: 138.55 g/mol
Monoisotopic mass: 137.99847578

Names & identifiers

Preferred name: 3-Chloropyridine-2-carbonitrile
IUPAC: 3-chloropyridine-2-carbonitrile
English name: 2-Cyano-3-chloropyridine
Molecular formula: C6H3ClN2
Molecular weight: 138.55

Names & synonyms

38180-46-03-chloropyridine-2-carbonitrileDTXSID701347474RefChem:500531DTXCID801776204641-299-33-chloro-2-cyanopyridine2-Cyano-3-chloropyridine3-chloropicolinonitrile3-chloro-2-pyridinecarbonitrileMFCD037888343-Chloro-pyridine-2-carbonitrile

Show more names

oro-2-cyanopyridine2-Cyano-3-chloropyri3-Chloro-2-cyanopyridine >3-Chloro-2-cyanopyridine ,95%2-Pyridinecarbonitrile, 3-chloro-

205751-22-0Pyridinecarbonitrile, chloro- (9CI)chloro-2-cyanopyridinechloro-2-pyridinecarbonitrileSCHEMBL363772SCHEMBL7754357SCHEMBL15157795YDPLFBIGFQFIDB-UHFFFAOYSA-

Database identifiers

CAS: 38180-46-0
PubChem CID: 818258
DTXSID: DTXSID701347474
EC Number: 641-299-3
Nikkaji: J2.172.471H

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: 81 · 81-83°C
Boiling point: 100 °C/3mmHg · 100°C/3mmHg(lit.)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Methanol
pka: -2.6 · -2.60±0.10(Predicted)
form: Solid
color: Light Yellow
InChI: InChI=1S/C6H3ClN2/c7-5-2-1-3-9-6(5)4-8/h1-3H
InChIKey: YDPLFBIGFQFIDB-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC=C1Cl
CAS DataBase Reference: 38180 · 38180-46-0(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 302 · H302-H311-H315-H319-H332-H335-H301
Precautionary statements: 301 · P301+P310-P280h-P305+P351+P338-P309-P310
Hazard Codes: T,Xi
Risk Statements: 25 · 25-36/37/38-20/21/22
Safety Statements: 45 · 45-36/37-22
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 29333990 · 29333990
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (10%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (30%)

Safety data

ridadr: 2811
hs_code: 29333990
risk_code: 25-36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,Xi
safety_code: 45-36/37-22
hazard_class: IRRITANT-HARMFUL
packing_group: Ⅲ
Hazard statements: H302-H311-H315-H319-H332-H335-H301
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P301+P310-P280h-P305+P351+P338-P309-P310