2-Amino-6-Chloropyrazine (HCID 118458)

Names & identifiers

Preferred name: 2-Amino-6-Chloropyrazine
IUPAC: 6-chloropyrazin-2-amine
English name: 2-Chloro-6-aminopyrazine
Molecular formula: C4H4ClN3
Molecular weight: 129.55

Names & synonyms

2-AMINO-6-CHLOROPYRAZINE33332-28-46-chloropyrazin-2-amine2-chloro-6-aminopyrazinePyrazinamine, 6-chloro-6-CHLORO-2-PYRAZINAMINE2-Pyrazinamine, 6-chloro-CVL0CMW8XRAI3-61778DTXSID0067761RefChem:464751DTXCID0038673

Show more names

TIMTEC-BB SBB0054886-chlorpyrazin-2-amin6-Chloro-2-aMinopyrazine6-AMino-2-chloropyrazine

636-487-7MFCD000550246-CHLOROPYRAZINE-2-AMINE6-chloropyrazin-2-ylamine2-amino-6-chloro-pyrazine6-Chloro-pyrazin-2-ylamineCHEMBL1916321wcc

Database identifiers

CAS: 33332-28-4
PubChem CID: 118458
DTXSID: DTXSID0067761
ChEMBL: CHEMBL191632
UNII: CVL0CMW8XR
EC Number: 636-487-7
Nikkaji: J88.860E

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 77.7

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point: 150 · 150-152°C
Boiling point: 282.8 · 282.8±35.0 °C(Predicted)
Density: 1.437 · 1.437±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Soluble in dimethyl sulfoxide and methanol.
form: Solid
pka: 0.89 · 0.89±0.10(Predicted)
color: Purple
InChI: InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
InChIKey: JTPXVCKCLBROOJ-UHFFFAOYSA-N
SMILES: C1(N)=NC(Cl)=CN=C1
LogP: 0.95 · 0.950
CAS DataBase Reference: 33332 · 33332-28-4(CAS DataBase Reference)
FDA UNII: 0 CMW8XR · CVL0CMW8XR
EPA Substance Registry System: 2 · 2-Amino-6-chloropyrazine (33332-28-4)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-22
Safety Statements: 26 · 26-36/37/39-60-37
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
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 · 4 items

Danger

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

Safety data

wgk: WGK 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38-41-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-60-37
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H335-H315-H319
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyrazinamine, 6-chloro-: INACTIVE

Applications

Uses2-Chloro-6-aminopyrazine is a disubstituted pyrazine used in the preparation of A2B adenosine receptor antagonists and other biologically active compounds.

Uses2-Amino-6-chloropyrazine is used in the preparation of A2B adenosine receptor antagonists and other biologically active compounds.