Basic information
- CAS
10366-35-5- Standard SMILES
NC(=O)c1cccnc1Cl- InChIKey
ZQZAHPFFZWEUCL-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O
- Average molar mass
- 156.57 g/mol
- Monoisotopic mass
- 156.00904046
Names & identifiers
- Preferred name
- 2-Chloronicotinamide
- IUPAC
- 2-chloropyridine-3-carboxamide
- English name
- 2-Chloronicotinamide
- Molecular formula
- C6H5ClN2O
- Molecular weight
- 156.57
Names & synonyms
2-Chloronicotinamide10366-35-5YQ93YP7F5EDTXSID80145983RefChem:86513DTXCID2068474233-808-92-Chloropyridine-3-carboxamide3-Pyridinecarboxamide, 2-chloro-MFCD00006237chloronicotinamide2-Chloro-3-pyridinecarboxamide
Show more names
2-ChloronicotimideTIMTEC-BB SBB004012RARECHEM AH CK 00702-CHLORONICOTINALDEHYDENicotinamide, 2-chloro-2-Chloronicotinamide 98%2-Chloronicotinamide >2-CHLORONICOTINAMIDE CNAM2-Chloronicotinamide, 98+%
2-chloro-nicotinamideEINECS 233-808-92-Chloronicotinamide, 98%AKOS000121160CS-0030384EN300-26649Z33546502BCP23241
Database identifiers
- CAS
10366-35-5- PubChem CID
- 82588
- DTXSID
DTXSID80145983- UNII
- YQ93YP7F5E
- EC Number
- 233-808-9
- Nikkaji
- J258E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 164 · 164-167 °C(lit.)
- Boiling point
- 313.7 · 313.7±27.0 °C(Predicted)
- Density
- 1.4411 · 1.4411 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 14.19 · 14.19±0.50(Predicted)
- form
- Fine Crystalline Powder
- color
- Beige
- BRN
- 119026 · 119026
- InChI
- InChI=1S/C6H5ClN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)
- InChIKey
- ZQZAHPFFZWEUCL-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC=C1C(N)=O
- CAS DataBase Reference
- 10366 · 10366-35-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses2-Chloronicotinamide is an off-white gracile crystal powder and serves as an important drug intermediate. 2-Chloronicotinamide acts as a substrate and precursor to produce 2-chloronicotinic acid through amidase-mediated hydrolysis and biocatalytic processes. 2-Chloronicotinamide is applied as a precursor in the synthesis of 2-piperazin-1-ylnicotinamide, 2-chloropyridine-3-carbothioamide, and 2-chloro-N-iso-butylnicotinamide[6-8].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
18 records
Compound notes
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