Chloropyrazine
Basic information
- CAS
14508-49-7- Standard SMILES
Clc1cnccn1- InChIKey
GELVZYOEQVJIRR-UHFFFAOYSA-N- Molecular formula
- C4H3ClN2
- Average molar mass
- 114.53 g/mol
- Monoisotopic mass
- 113.99847578
Overview
2-chloropyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- Chloropyrazine
- IUPAC
- 2-chloropyrazine
- English name
- 2-Chloropyrazine
- Molecular formula
- C4H3ClN2
- Molecular weight
- 114.53
Names & synonyms
2-ChloropyrazineChloropyrazinepyrazine, 2-chloro-EINECS 238-517-0DTXSID0065779RefChem:125502DTXCID5034723238-517-0GELVZYOEQVJIRR-UHFFFAOYSA-NInChI=1/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-314508-49-7Pyrazine, chloro-
Show more names
2-Chloropyrazine 97%Chlorpyrazinchloro-pyrazin2-chloropyrazin2-DichloropyrazineCHLOROPYRAZINE, 2-Chloropyrazine >
MFCD000061242-chloro-pyrazineCHEMBL1741693chloropyrazinchloro-pyrazine6-chloropyrazine2- chloropyrazine2-chloro pyrazine
Database identifiers
- CAS
14508-49-7- PubChem CID
- 73277
- DTXSID
DTXSID0065779- ChEMBL
CHEMBL1741693- ChEBI
CHEBI:95323- UNII
- AQF7YV7HTW
- EC Number
- 238-517-0
- Nikkaji
- J151.517I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.7
Physicochemical properties
- Melting point
- 153 · 153~154℃
- Boiling point
- 153 · 153-154 °C (lit.)
- Density
- 1.283 g/mL · 1.283 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.539(lit.)
- Flash point
- 136 °F · 136 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in Methanol
- form
- Liquid
- pka
- -1.1 · -1.10±0.10(Predicted)
- Specific Gravity
- 1.283 · 1.283
- color
- Clear colorless to yellow
- Water Solubility
- INSOLUBLE
- BRN
- 107019 · 107019
- InChI
- 1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H
- InChIKey
- GELVZYOEQVJIRR-UHFFFAOYSA-N
- SMILES
- Clc1cnccn1
- LogP
- 0.7 · 0.700
- CAS DataBase Reference
- 14508 · 14508-49-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Chloropyrazine(14508-49-7)
- EPA Substance Registry System
- Pyrazine, chloro- (14508-49-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P370+P378
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29339990 · 29339990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]
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, 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 CategoriesFlam. Liq. 3 (98.1%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P370+P378
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrazine, 2-chloro-: ACTIVE
Applications
Uses2-Chloropyrazine is used in cardiotonic, in biological, drug, flavoring and perfumery industry.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2-chloropyrazine is a member of pyrazines.
Related reactions
310 records
Compound notes
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