CAS 4774-14-5 2,6-Dichloropyrazine (HCID 78504)

Overview

structure in first source

Names & identifiers

Preferred name: 2,6-Dichloropyrazine
IUPAC: 2,6-dichloropyrazine
English name: 2,6-Dichloropyrazine
Molecular formula: C4H2Cl2N2
Molecular weight: 148.98

Names & synonyms

2,6-Dichloropyrazine4774-14-5Pyrazine, 2,6-dichloro-2NX2PQ9HSLDTXSID0063602RefChem:445476DTXCID1040582225-316-8MFCD000061252,6-dichloro-pyrazine2,6-dicloropyrazine2, 6-dichloropyrazine

Show more names

M-Dichloropyrazine6-Dichloropyrazine2,6-Dichlor-pyrazin2,6-CHLORO PYRAZINE2,6-Dichloropyrazine>Pyrazine, 2,6-dichloro-2,6-Dichloro-1,4-diazine2,6-Dichloropyrazine,99%

CS-W010976D1867Z2172917862,6-dichloro pyrazine2,6 dichloropyrazine2,6-dichloro-pyrazinUNII-2NX2PQ9HSLFT-0610628

Database identifiers

CAS: 4774-14-5
PubChem CID: 78504
DTXSID: DTXSID0063602
UNII: 2NX2PQ9HSL
EC Number: 225-316-8
Nikkaji: J208.429E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 70.4

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 55 · 55-58 °C (lit.)
Boiling point: 122 °C · 122 °C / 40mmHg
Density: 1.6445 · 1.6445 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in ethanol and methanol.
form: Crystals or Crystalline Powder
pka: -3.11 · -3.11±0.10(Predicted)
color: White to beige
BRN: 2439 · 2439
InChI: 1S/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H
InChIKey: LSEAAPGIZCDEEH-UHFFFAOYSA-N
SMILES: Clc1cncc(Cl)n1
LogP: 1.53 · 1.530
CAS DataBase Reference: 4774 · 4774-14-5(CAS DataBase Reference)
FDA UNII: 2 NX2PQ9HSL · 2NX2PQ9HSL
NIST Chemistry Reference: 2 · 2,6-Dichloropyrazine(4774-14-5)
EPA Substance Registry System: 2 · 2,6-Dichloropyrazine (4774-14-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-37/39-36/37/39-22-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29339990 · 29339990
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 53 reports by companies from 11 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
tsca: TSCA listed
hs_code: 29339990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-22-36
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: P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyrazine, 2,6-dichloro-: ACTIVE

Applications

Uses2,6-Dichloropyrazine is used in the preparation of pyrazine and pyridine compounds as ATR kinase inhibitors. It is also used in the synthesis of oxacalixarenes containing nitrogen heterocycles.