CAS 19745-07-4 2,5-Dichloropyrazine (HCID 336224)

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Basic information

CAS: 19745-07-4
Standard SMILES: Clc1cnc(Cl)cn1
InChIKey: JVSDZAGCHKCSGR-UHFFFAOYSA-N
Molecular formula: C4H2Cl2N2
Average molar mass: 148.98 g/mol
Monoisotopic mass: 147.95950342

Names & identifiers

Preferred name: 2,5-Dichloropyrazine
IUPAC: 2,5-dichloropyrazine
English name: 2,5-Dichloropyrazine
Molecular formula: C4H2Cl2N2
Molecular weight: 148.98

Names & synonyms

2,5-DichloropyrazineDTXSID40319709RefChem:82816DTXCID50270832687-948-4JVSDZAGCHKCSGR-UHFFFAOYSA-N19745-07-4pyrazine, 2,5-dichloro-MFCD041178862,5-Dichloro-pyrazineNSC349788SCHEMBL790826

Show more names

NSC 3497882,5-Dichloro-1,4-diazine2,5-Dichloropyrazine ISO 9001：2015 REACH

SCHEMBL933680AKOS006280522AC-5180CS-W004751NSC-349788PB21866PS-3931FD139859

Database identifiers

CAS: 19745-07-4
PubChem CID: 336224
DTXSID: DTXSID40319709
EC Number: 687-948-4
Nikkaji: J419.520E

Properties

Computed structural properties

XLogP: 1.6
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: 68.4

Experimental & physicochemical properties

LogP1.58

Physicochemical properties

Melting point: 0 °C · 0 °C (approx)
Boiling point: 184.4 · 184.4±35.0 °C(Predicted)
Density: 1.493 · 1.493±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
pka: -4.23 · -4.23±0.10(Predicted)
color: Colourless
InChI: InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)2-8-3/h1-2H
InChIKey: JVSDZAGCHKCSGR-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Cl)N=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 58 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.