CAS 19847-10-0 Pyrazinecarbonyl chloride (HCID 88279)

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Basic information

CAS: 19847-10-0
Standard SMILES: O=C(Cl)c1cnccn1
InChIKey: TXJKATOSKLUITR-UHFFFAOYSA-N
Molecular formula: C5H3ClN2O
Average molar mass: 142.54 g/mol
Monoisotopic mass: 141.9933904

Names & identifiers

Preferred name: Pyrazinecarbonyl chloride
IUPAC: pyrazine-2-carbonyl chloride
English name: 2-Pyrazinecarbonyl chloride
Molecular formula: C5H3ClN2O
Molecular weight: 142.54

Names & synonyms

19847-10-02-Pyrazinecarbonyl chloridePyrazinecarbonyl chlorideEINECS 243-367-4DTXSID10173592RefChem:870452DTXCID8096083243-367-4Pyrazine-2-carbonyl chloridepyrazine 2-carbonyl chlorideMFCD00792886Pyrazine-2-carboxylic acid chloride

Show more names

ASINEX-REAG BAS 07703829Pyrazine-2-carbonyl chloride, 90+%2-PYRAZINECARBONYL CHLORIDE: TECH.Pyrazine-2-carbonyl chloride, technical, 90%

2-Pyrazinecarbonylchloride2-pyrazine carbonyl chloridepyrazinoyl chloridePyrazine-2-carbonylchlorideSCHEMBL417976H9QU868NP8TIMTEC-BB SBB0102902-pyrazine carboxylic acid chloride

Database identifiers

CAS: 19847-10-0
PubChem CID: 88279
DTXSID: DTXSID10173592
UNII: H9QU868NP8
EC Number: 243-367-4
Nikkaji: J280.380A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 41 °C · 41°C
Boiling point: 214.5 · 214.5±20.0 °C(Predicted)
Density: 1.393 · 1.393±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.5 · -2.50±0.10(Predicted)
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
CAS DataBase Reference: 19847 · 19847-10-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
HazardClass: 8 · 8

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3265
hs_code: 2933998090
risk_code: 34
Symbol(GHS): GHS05
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses2-Pyrazinecarbonyl Chloride is an intermediate used in the synthesis of (S)-N-[1-(3-Hydroxy-3-methylbutanamido)-1-oxo-3-phenylpropan-2yl]pyrazine-2-carboxamide (H805105), which is an impurity of bortezomib (B675700), which is the first proteasome inhibitor to be approved by the US FDA for multiple myeloma, a blood cancer. A reversible inhibitor of the 26S proteasome-a barrel-shaped multiprotein particle found in the nucleus and cytosol of all eukaryotic cells. Targets the ubiquitin-proteasome pathway.