Basic information
- CAS
38029-99-1- Standard SMILES
CCN(CC)C(=O)c1cccnc1Cl- InChIKey
UEKCGMIHMFNDNI-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.07164072
Names & identifiers
- Preferred name
- 2-Chloro-N,N-diethylnicotinamide
- IUPAC
- 2-chloro-N,N-diethylpyridine-3-carboxamide
- English name
- 2-Chloro-3-N,N-diethyl-pyridinecarboxamide
- Molecular formula
- C10H13ClN2O
- Molecular weight
- 212.68
Names & synonyms
2-CHLORO-N,N-DIETHYLNICOTINAMIDE38029-99-1DTXSID50403587RefChem:259230DTXCID703544412-Chloro-3-N,N-diethyl-pyridinecarboxamide2-chloro-N,N-diethylpyridine-3-carboxamideMFCD033836052-chloro-N,N-diethyl-pyridine-3-carboxamideSCHEMBL1044152UEKCGMIHMFNDNI-UHFFFAOYSA-NAKOS000157771
Show more names
2-chloro-N,N-diethyl-3-pyridinecarboxamide3-Pyridinecarboxamide,2-chloro-N,N-diethyl-
CS-03652502-Chloro-N,N-diethylnicotinamide, AldrichCPRA1-06822
Database identifiers
- CAS
38029-99-1- PubChem CID
- 4465944
- DTXSID
DTXSID50403587- EC Number
- 109-287-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 120 · 120-125 °C(Press: 2 Torr)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- -0.91 · -0.91±0.10(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers12 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
10 records
Compound notes
Loading…