2-Amino-3,5-dibromopyrazine
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Basic information
- CAS
24241-18-7- Standard SMILES
Nc1ncc(Br)nc1Br- InChIKey
DTLBKXRFWUERQN-UHFFFAOYSA-N- Molecular formula
- C4H3Br2N3
- Average molar mass
- 252.89 g/mol
- Monoisotopic mass
- 250.8693713
Names & identifiers
- Preferred name
- 2-Amino-3,5-dibromopyrazine
- IUPAC
- 3,5-dibromopyrazin-2-amine
- English name
- 2-Amino-3,5-dibromopyrazine
- Molecular formula
- C4H3Br2N3
- Molecular weight
- 252.89
Names & synonyms
2-Amino-3,5-dibromopyrazine24241-18-7DTXSID50347316RefChem:463598DTXCID40298388628-514-63,5-dibromopyrazin-2-amine3,5-Dibromo-2-pyrazinamineAmino-3,5-dibromopyrazine3,5-Dibromopyrazin-2-ylamineMFCD006731503,5-Dibromopyrazine-2-ylamine
Show more names
2-AMINO-3,5-DIBROMOPYRAZIN2-Amino-3,5-dibromop3,5-dibromo-2-aminopAlprostadil Impurity 165-dibromo-2-aminopyrazine
2,6-dibromopyrazin-3-amine3,5-DIBROMO-2-AMINOPYRAZINE2-Amino-3,5-dibromopyrazine;2-Amino-3,5-dibromopyrazinePyrazinamine, 3,5-dibromo-3,5-dibromopyrazine-2-amine2-amino-3,5-dibromo pyrazine2-amino-dibromopyrazineSCHEMBL41047
Database identifiers
- CAS
24241-18-7- PubChem CID
- 620004
- DTXSID
DTXSID50347316- EC Number
- 628-514-6
- Nikkaji
- J1.282.790C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.8
Physicochemical properties
- Melting point
- 114 · 114-117 °C (lit.)
- Boiling point
- 294.6 · 294.6±35.0 °C(Predicted)
- Density
- 2.287 · 2.287±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- pka
- 0.81 · 0.81±0.10(Predicted)
- form
- Powder
- color
- Yellow to brown
- InChI
- InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
- InChIKey
- DTLBKXRFWUERQN-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(Br)N=C1Br
- CAS DataBase Reference
- 24241 · 24241-18-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS07
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (80.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33599
Hazard Classes and CategoriesAcute Tox. 3 (80.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339900
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36/39
- hazard_class
- 6.1
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Chemistry & industry
Applications
Uses2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitor s.
Uses2-Amino-3,5-dibromopyrazine may be used in the synthesis of:2-amino-5-bromopyrazin-3-thiol2-amino-3,5-bis(p-methoxyphenyl)-1,4-pyrazine3,7-dihydroimidazo[1,2a]pyrazine-3-ones
General Description2-Amino-3,5-dibromopyrazine can be synthesized from 2-aminopyrazine via bromination using N-bromosuccinimide (NBS). It reacts with sodium dicyanocuprate to form a mixture of mono and dicyanation products. The formation of 2-aminothiazolopyrazines by reacting 2-amino-3,5-dibromopyrazine with isothiocyanates has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
254 records
Compound notes
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