4,6-Dibromopyrimidine
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Basic information
- CAS
36847-10-6- Standard SMILES
Brc1cc(Br)ncn1- InChIKey
CEPVZSXIONCAJV-UHFFFAOYSA-N- Molecular formula
- C4H2Br2N2
- Average molar mass
- 237.88 g/mol
- Monoisotopic mass
- 235.85847
Names & identifiers
- Preferred name
- 4,6-Dibromopyrimidine
- IUPAC
- 4,6-dibromopyrimidine
- English name
- 4,6-DIBROMOPYRIMIDINE
- Molecular formula
- C4H2Br2N2
- Molecular weight
- 237.88
Names & synonyms
4,6-Dibromopyrimidine36847-10-6DTXSID00602260RefChem:285759DTXCID10553017679-372-7MFCD00233946Pyrimidine, 4,6-dibromo-4,6-Dibromopyrimidine, 95%SCHEMBL2117483SCHEMBL9122654AKOS015835752
Show more names
4,6-Dibromopyrimydine4,6-DIBROMOPYRIMIDINE ISO 9001：2015 REACH
BS-2060CS-W008458PB17157AC-24505SY031025DB-012132D4600EN300-113736
Database identifiers
- CAS
36847-10-6- PubChem CID
- 20085404
- DTXSID
DTXSID00602260- EC Number
- 679-372-7
- Nikkaji
- J1.634.489C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.4
Physicochemical properties
- Melting point
- 49 · 49-52℃
- Boiling point
- 263.7 · 263.7±20.0 °C(Predicted)
- Density
- 2 · 2+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- -4.23 · -4.23±0.17(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C4H2Br2N2/c5-3-1-4(6)8-2-7-3/h1-2H
- InChIKey
- CEPVZSXIONCAJV-UHFFFAOYSA-N
- SMILES
- C1=NC(Br)=CC(Br)=N1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
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
H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (86.7%)
Safety data
- ridadr
- UN3261
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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