2-(4,6-Dichloropyrimidin-2-yl)acetonitrile
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Basic information
- CAS
63155-43-1- Standard SMILES
N#CCc1nc(Cl)cc(Cl)n1- InChIKey
VUULABSLYIJIKR-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2N3
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.9704025
Names & identifiers
- Preferred name
- 2-(4,6-Dichloropyrimidin-2-yl)acetonitrile
- IUPAC
- 2-(4,6-dichloropyrimidin-2-yl)acetonitrile
- English name
- 2-(4,6-DICHLOROPYRIMIDIN-2-YL)ACETONITRILE
- Molecular formula
- C6H3Cl2N3
- Molecular weight
- 188.01
Names & synonyms
2-(4,6-dichloropyrimidin-2-yl)acetonitrile63155-43-1MFCD15526912(4,6-Dichloro-pyrimidin-2-yl)-acetonitrileNSC175782-Pyrimidineacetonitrile, 4,6-dichloro-SCHEMBL1922451DTXSID402806074,6-Dichloropyrimidine-2-acetonitrile(4,6-dichloropyrimidin-2-yl)acetonitrileNSC-17578AKOS015902220
Show more names
NSC 175782-(4,6-Dichloropyrimidin-2-yl)4,6-Dichloro-2-pyrimidineacetonitrile(4,6-Dichloro-2-pyrimidinyl)acetonitrile2-(4,6-Dichloro-2-pyrimidinyl)acetonitrile
SB38032AS-65330SY1048482-(46-Dichloropyrimidin-2-yl)acetonitrileDB-027120CS-0312973C75967F092767
Database identifiers
- CAS
63155-43-1- PubChem CID
- 226795
- DTXSID
DTXSID40280607
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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