Nicotinoyl chloride
Basic information
- CAS
10400-19-8- Standard SMILES
O=C(Cl)c1cccnc1- InChIKey
ATBIAJXSKNPHEI-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO
- Average molar mass
- 141.55 g/mol
- Monoisotopic mass
- 140.9981414
Names & identifiers
- Preferred name
- Nicotinoyl chloride
- IUPAC
- pyridine-3-carbonyl chloride
- English name
- Nicotinyl chloride hydrochloride
- Molecular formula
- C6H4ClNO
- Molecular weight
- 141.56
Names & synonyms
Nicotinoyl chloride10400-19-83-Pyridinecarbonyl chloride7Y3X2E4XUGEINECS 233-863-9DTXSID40146214RefChem:165756DTXCID8068705233-863-9ATBIAJXSKNPHEI-UHFFFAOYSA-Npyridine-3-carbonyl chloridenicotinyl chloride hydrochloride
Show more names
NicotinylchloridePYRIDINE 3-CARBONYL CHLORIDE3-Pyridinecarboxylic acid chloridePyridine-3-carboxylic acid chlorideNicotinoyl chloride (6CI, 7CI, 8CI)Nicotinyl Chloride Hydrochloride BitmapNICOTINYL CHLORIDE HYDROCHLORIDE ISO 9001：2015 REACH
nicotinoylchlorideMFCD004648143-pyridylcarbonyl chlorideZINC2539499NICOTINIC ACID CHLORIDEnicotinic chlorideNicotinoyl chloride #NICOTINICCHLORIDE
Database identifiers
- CAS
10400-19-8- PubChem CID
- 82604
- DTXSID
DTXSID40146214- UNII
- 7Y3X2E4XUG
- EC Number
- 233-863-9
- Nikkaji
- J39.100J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 149 · 149-155 C
- Boiling point
- 215 ℃ · 215℃
- Density
- 1.297 · 1.297
- Flash point
- 84 ℃ · 84℃
- pka
- 2.63 · 2.63±0.10(Predicted)
- form
- solid
- InChI
- 1S/C6H4ClNO/c7-6(9)5-2-1-3-8-4-5/h1-4H
- InChIKey
- ATBIAJXSKNPHEI-UHFFFAOYSA-N
- SMILES
- ClC(C1=CC=CN=C1)=O
- FDA UNII
- 7 Y3X2E4XUG · 7Y3X2E4XUG
- Comptox DTXSID
- 40146214 · DTXSID40146214
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
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
- wgk
- WGK 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesNicotinyl Chloride can be used to treat hyperthyroidism.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
322 records
Compound notes
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