Chloropyrazine
Properties
- Molecular formula
- C4H3ClN2
- Molar mass
- 114.53 g/mol
- Exact mass
- 113.9985 Da
- Density
- 1.28 g/mL
- Melting point
- 99–100 °C
- Boiling point
- 153.5 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor98.1% of notifiers
- H315 Causes skin irritation96.2% of notifiers
- H319 Causes serious eye irritation98.1% of notifiers
- H335 May cause respiratory irritation96.2% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
14508-49-7SMILES
Clc1cnccn1InChIKey
GELVZYOEQVJIRR-UHFFFAOYSA-NInChI
InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Pyrazine, 2-chloro-
- Pyrazine, chloro-
- 2-Chloropyrazine
- Pyrazin-2-yl chloride
Work with Chloropyrazine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,5-Dichloropyrazine19745-07-453 % similar
2,6-Dichloropyrazine4774-14-548 % similar
Methylpyrazine109-08-042 % similar
2-Chloropyridine109-09-142 % similar
Iodopyrazine32111-21-042 % similar
2-Fluoropyrazine 984949-13-742 % similar
Aminopyrazine5049-61-642 % similar
2-Bromopyrazine56423-63-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds