CAS 95-58-9 Pyrazine, 2-chloro-3-methyl- (HCID 66769)

Names & identifiers

Preferred name: Pyrazine, 2-chloro-3-methyl-
IUPAC: 2-chloro-3-methylpyrazine
English name: 2-CHLORO-3-METHYLPYRAZINE
Molecular formula: C5H5ClN2
Molecular weight: 128.56

Names & synonyms

2-Chloro-3-methylpyrazine95-58-9Pyrazine, 2-chloro-3-methyl-2-Methyl-3-chloropyrazineZWK9VBZ5ZXEINECS 202-434-8NSC 41093NSC-41093DTXSID4059124RefChem:870432DTXCID7048954202-434-8

Show more names

2-Chlor-3-methylpyrazin2-CHLORO-3,(5),(6)-ETHYLPYRAZINE2-CHLORO-3-METHYLPYRAZINE ISO 9001：2015 REACH

2-Chloro-3-methyl-pyrazineMFCD00023279NSC410932-chloro-3-methylpyrazin3-Chloro-2-methyl pyrazineSCHEMBL610054SCHEMBL790231SCHEMBL790756

Database identifiers

CAS: 95-58-9
PubChem CID: 66769
DTXSID: DTXSID4059124
UNII: ZWK9VBZ5ZX
EC Number: 202-434-8
Nikkaji: J29.017C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76

Experimental & physicochemical properties

Kovats Retention Index · 2 items

951

1399

Physicochemical properties

Boiling point: 80 °C · 80 °C(Press: 27 Torr)
Density: 1.234 g/ml · 1.234g/ml
refractive index: 1.5283 · 1.5283
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.31 · -0.31±0.10(Predicted)
form: Liquid
color: Colorless
InChI: InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChIKey: WZHWPZQQPWKEAV-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CN=C1C
LogP: 1.058 · 1.058 (est)
CAS DataBase Reference: 95 · 95-58-9(CAS DataBase Reference)
FDA UNII: 9 VBZ5ZX · ZWK9VBZ5ZX
EPA Substance Registry System: 2 · Pyrazine, 2-chloro-3-methyl- (95-58-9)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HS Code: 2933119000 · 2933119000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Pyrazine, 2-chloro-3-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationChemical: Pyrazine, 2-chloro-3-methyl-

Safety data

wgk: WGK 3
tsca: TSCA listed
hs_code: 2933119000
risk_code: 22-37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyrazine, 2-chloro-3-methyl-: INACTIVE

Applications

Uses2-Chloro-3-methylpyrazine is a pyrazine compound in which the chlorine atom in the structure can be replaced for the preparation of other medicinal chemicals. It is used in the preparation of macrocyclic urea kinase inhibitors.