Pyrazine, 2-(chloromethyl)-

HCID 170169

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Basic information

CAS: 39204-47-2
Standard SMILES: ClCc1cnccn1
InChIKey: GFHPSQFCHUIFTO-UHFFFAOYSA-N
Molecular formula: C5H5ClN2
Average molar mass: 128.56 g/mol
Monoisotopic mass: 128.01412584

Names & identifiers

Preferred name: Pyrazine, 2-(chloromethyl)-
IUPAC: 2-(chloromethyl)pyrazine
English name: (chloromethyl)pyrazine
Molecular formula: C5H5ClN2
Molecular weight: 128.56

Names & synonyms

39204-47-2(Chloromethyl)pyrazinePyrazine, 2-(chloromethyl)-EINECS 254-353-2RefChem:870429254-353-22-(chloromethyl)pyrazine2-Chloromethyl-pyrazinePyrazine, (chloromethyl)-MFCD10697790chloromethylpyrazine2-Chloromethylpyrazine

Show more names

2-(Chloromethyl)-1,4-diazine(chloromethyl)pyrazine ISO 9001：2015 REACHN-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]benzamide

2-(chloromethyl)-pyrazinepyrazinylmethyl chlorideSCHEMBL246396E57G47M2RWDTXSID4068167SCHEMBL171856632-(Chloromethyl)pyrazine (HCl)AKOS015940574

Database identifiers

CAS: 39204-47-2
PubChem CID: 170169
DTXSID: DTXSID4068167
UNII: E57G47M2RW
EC Number: 254-353-2
Nikkaji: J261.337I

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Boiling point: 202.9 · 202.9±25.0 °C(Predicted)
Density: 1.241 · 1.241±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 0.22 · 0.22±0.10(Predicted)
Appearance: light yellow liquid
FDA UNII: 57 G47M2RW · E57G47M2RW
EPA Substance Registry System: Pyrazine, (chloromethyl)- (39204-47-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.