CAS 76537-18-3 3-Bromo-5-chloropyrazin-2-amine (HCID 10488609)

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Basic information

CAS: 76537-18-3
Standard SMILES: Nc1ncc(Cl)nc1Br
InChIKey: ACFBUXHJONGLLF-UHFFFAOYSA-N
Molecular formula: C4H3BrClN3
Average molar mass: 208.44 g/mol
Monoisotopic mass: 206.91989

Names & identifiers

Preferred name: 3-Bromo-5-chloropyrazin-2-amine
IUPAC: 3-bromo-5-chloropyrazin-2-amine
English name: 2-Amino-3-bromo-5-chloropyrazine
Molecular formula: C4H3BrClN3
Molecular weight: 208.44

Names & synonyms

3-bromo-5-chloropyrazin-2-amineRefChem:498871810-093-776537-18-32-AMINO-3-BROMO-5-CHLOROPYRAZINE2-Pyrazinamine,3-bromo-5-chloro-MFCD09909643Pyrazinamine, 3-bromo-5-chloro-3-Bromo-5-chloro-pyrazin-2-ylamineSCHEMBL116061DTXSID30440738CS-D0361

Show more names

2-amine-3-bromo-5-chloropyrazin3-Bromo-5-chloro-2-aminopyrazine2-Pyrazinamine, 3-bromo-5-chloro-3-Bromo-5-chloropyrazin-2-ylamine2-AMINO-3-BROMO-5-CHLOROPYRAZINE ISO 9001：2015 REACH

3-bromo-5-chloro-pyrazin-2-amineAmino-3-bromo-5-chloropyrazineSCHEMBL29892904AKOS015854860AB54749AS-18539SY034394EN300-108271

Database identifiers

CAS: 76537-18-3
PubChem CID: 10488609
DTXSID: DTXSID30440738
EC Number: 810-093-7

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 102

Physicochemical properties

Boiling point: 298.4 · 298.4±35.0 °C(Predicted)
Density: 1.96 · 1.96
refractive index: 1.66 · 1.66
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.89 · 0.89±0.10(Predicted)
Appearance: Light yellow to brown Solid
InChI: InChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKey: ACFBUXHJONGLLF-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)N=C1Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, 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 2 reports by companies from 2 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

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P