Tetrachloropicolinonitrile
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Basic information
- CAS
17824-83-8- Standard SMILES
N#Cc1nc(Cl)c(Cl)c(Cl)c1Cl- InChIKey
KFPBGJYBKSQIAI-UHFFFAOYSA-N- Molecular formula
- C6Cl4N2
- Average molar mass
- 241.9 g/mol
- Monoisotopic mass
- 239.88155872
Names & identifiers
- Preferred name
- Tetrachloropicolinonitrile
- IUPAC
- 3,4,5,6-tetrachloropyridine-2-carbonitrile
- English name
- 3,4,5,6-Tetrachloropyridine-2-carbonitrile
- Molecular formula
- C6Cl4N2
- Molecular weight
- 241.89
Names & synonyms
17824-83-83,4,5,6-Tetrachloropyridine-2-carbonitrile3,4,5,6-Tetrachloropicolinonitriletetrachloropicolinonitrile2-Pyridinecarbonitrile, 3,4,5,6-tetrachloro-Tetrachloro-2-cyanopyridine2-Cyano-3,4,5,6-tetrachloropyridine3,4,5,6-Tetrachloro-2-pyridinecarbonitrilePicolinonitrile, tetrachloro-DTXSID8027795I96RN8SOUTEINECS 241-784-6
Show more names
AKOS NCG1-0101AKOS BBS-000046493,4,5,6-Tetrachloro-2-carbonitrile3,4,5,6-Tetrachloro-2-cyanopyridine3,4,5,6-Tetrachloropyridin-2-carbonitrile2-Pyridinecarbonitrile,3,4,5,6-tetrachloro-
DTXCID807795TETRACHLORO PICOLINONITRILETETRACHLORO-2-PYRIDINECARBONITRILERefChem:896818241-784-6Tetrachloropyridine-2-carbonitrileMFCD00087969UNII-I96RN8SOUT
Database identifiers
- CAS
17824-83-8- PubChem CID
- 87323
- DTXSID
DTXSID8027795- ChEMBL
CHEMBL3188934- UNII
- I96RN8SOUT
- EC Number
- 241-784-6
- Nikkaji
- J287.161K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
Collision Cross Section142.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8027795]
Physicochemical properties
- Melting point
- 148 · 148-150 °C
- Boiling point
- 297.4 · 297.4±35.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -9.58 · -9.58±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Henry's Law Constant
- 7.5 · 7.5×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 96 RN8SOUT · I96RN8SOUT
- EPA Substance Registry System
- 3 · 3,4,5,6-Tetrachloro-2-pyridinecarbonitrile (17824-83-8)
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
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 (70.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2-Pyridinecarbonitrile, 3,4,5,6-tetrachloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyridinecarbonitrile, 3,4,5,6-tetrachloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesAcute Tox. 3 (70.4%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN2811
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_class
- 6.1
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing Information2-Pyridinecarbonitrile, 3,4,5,6-tetrachloro-: ACTIVE
Related reactions
6 records
Compound notes
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