5-Amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
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Basic information
- CAS
6972-36-7- Standard SMILES
Cc1nc(Cl)c(C#N)c(C)c1N- InChIKey
RPRGFOOFJMWOOI-UHFFFAOYSA-N- Molecular formula
- C8H8ClN3
- Average molar mass
- 181.62 g/mol
- Monoisotopic mass
- 181.040675
Names & identifiers
- Preferred name
- 5-Amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
- IUPAC
- 5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
- English name
- 5-AMino-2-chloro-4,6-diMethylnicotinonitrile
- Molecular formula
- C8H8ClN3
- Molecular weight
- 181.62
Names & synonyms
6972-36-75-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrileDTXSID00989881RefChem:532151DTXCID201416991828-650-85-amino-2-chloro-4,6-dimethylnicotinonitrileNSC61974GAA97236NSC-61974AKOS025312715EN300-264906
Show more names
3-Pyridinecarbonitrile, 5-amino-2-chloro-4,6-dimethyl-
G53702F4949835-amino-2-chloro-4,6-dimethyl-pyridine-3-carbonitrileF1957-0203
Database identifiers
- CAS
6972-36-7- PubChem CID
- 247446
- DTXSID
DTXSID00989881- EC Number
- 828-650-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 149 · 149-149.2 °C
- Boiling point
- 409.4 · 409.4±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 0.22 · 0.22±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H312-H302-H332-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P317, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H312-H302-H332-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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