4,6-Dichloro-2-methyl-5-nitropyrimidine
Basic information
- CAS
13162-43-1- Standard SMILES
Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1- InChIKey
OPXGPTXSLFZVCA-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N3O2
- Average molar mass
- 208 g/mol
- Monoisotopic mass
- 206.9602317
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-methyl-5-nitropyrimidine
- IUPAC
- 4,6-dichloro-2-methyl-5-nitropyrimidine
- English name
- 4,6-Dichloro-2-methyl-5-nitropyrimidine
- Molecular formula
- C5H3Cl2N3O2
- Molecular weight
- 208
Names & synonyms
4,6-Dichloro-2-methyl-5-nitropyrimidinePyrimidine, 4,6-dichloro-2-methyl-5-nitro-EINECS 236-105-5DTXSID4065367RefChem:96622DTXCID1034056236-105-5OPXGPTXSLFZVCA-UHFFFAOYSA-N13162-43-1MFCD000605274,6-Dichloro-2-methyl-5-nitro-pyrimidine2-methyl-4,6-dichloro-5-nitropyrimidine
Show more names
2-Methyl-5-nitro-4,6-dichloro-pyriMidine4,6-Dichloro-2-methyl-5-nitropyrimidine ISO 9001：2015 REACH4,6-Dichloro-2-methyl-5-nitropyrimidine4,6-Dichloro-2-methyl-5-nitropyrimidinev
SCHEMBL1123974AKOS002662681CS-W000839GS-5777SB60475AC-23042SY0213802-methyl-4,6-dichloro-5-nitro-pyrimidine
Database identifiers
- CAS
13162-43-1- PubChem CID
- 83192
- DTXSID
DTXSID4065367- EC Number
- 236-105-5
- Nikkaji
- J317.843I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 310.4 · 310.4±37.0 °C(Predicted)
- Density
- 1.626 · 1.626±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -7.02 · -7.02±0.39(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
- InChIKey
- OPXGPTXSLFZVCA-UHFFFAOYSA-N
- SMILES
- C1(C)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1
- EPA Substance Registry System
- 4 · Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- (13162-43-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrimidine, 4,6-dichloro-2-methyl-5-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
143 records
Compound notes
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