Basic information
- CAS
4858-85-9- Standard SMILES
Clc1nccnc1Cl- InChIKey
MLCNOCRGSBCAGH-UHFFFAOYSA-N- Molecular formula
- C4H2Cl2N2
- Average molar mass
- 148.98 g/mol
- Monoisotopic mass
- 147.95950342
Names & identifiers
- Preferred name
- 2,3-Dichloropyrazine
- IUPAC
- 2,3-dichloropyrazine
- English name
- 2,3-Dichloropyrazine
- Molecular formula
- C4H2Cl2N2
- Molecular weight
- 148.98
Names & synonyms
2,3-Dichloropyrazine4858-85-9MLCNOCRGSBCAGH-UHFFFAOYSA-EINECS 225-460-1DTXSID10197556RefChem:81618DTXCID70120047225-460-1InChI=1/C4H2Cl2N2/c5-3-4(6)8-2-1-7-3/h1-2HMLCNOCRGSBCAGH-UHFFFAOYSA-NPyrazine, 2,3-dichloro-dichloropyrazine
Show more names
oropyrazine3-Dichloropyrazine2,3-Dichloropyazine2,3-Dichloropyrazine>2,3-Dichloro-1,4-diazine2,3-Dichloropyrazine,98%2,3- twochlorinepyrazine
5,6-dichloropyrazineMFCD000409642,3 dichloropyrazineSCHEMBL1038082,3-Dichloropyrazine, 95%AKOS005259647PB15620Z850504018
Database identifiers
- CAS
4858-85-9- PubChem CID
- 78575
- DTXSID
DTXSID10197556- EC Number
- 225-460-1
- Nikkaji
- J262.498B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.4
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 22.5 · 22.5-24.5 °C
- Boiling point
- 105 · 105-107 °C (50 mmHg)
- Density
- 1.431 g/mL · 1.431 g/mL at 25 °C (lit.)
- refractive index
- 1.5645 · 1.5645
- Flash point
- 102 °C · 102 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -4.23 · -4.23±0.10(Predicted)
- color
- Off-White to Light Yellow
- Specific Gravity
- 1.431 · 1.431
- BRN
- 112628 · 112628
- InChI
- 1S/C4H2Cl2N2/c5-3-4(6)8-2-1-7-3/h1-2H
- InChIKey
- MLCNOCRGSBCAGH-UHFFFAOYSA-N
- SMILES
- Clc1nccnc1Cl
- LogP
- 1.419 · 1.419 (est)
- CAS DataBase Reference
- 4858 · 4858-85-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Pyrazine, 2,3-dichloro-(4858-85-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 11-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24621
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesSelective monosubstitution of this substrate provided an efficient synthesis of alloisines, potent cyclin-dependent kinases.
Uses2,3-Dichloropyrazine is a substrate used for an efficient synthesis of aloisine (A575450), a potent cyclin-dependent kinase.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
334 records
Compound notes
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