Basic information
- CAS
17722-32-6- Standard SMILES
N#CCC(=O)Nc1ccc(Cl)cc1Cl- InChIKey
XSNWFABKENMBQB-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2O
- Average molar mass
- 229.06 g/mol
- Monoisotopic mass
- 227.9857182
Names & identifiers
- Preferred name
- 2-cyano-N-(2,4-dichlorophenyl)acetamide
- IUPAC
- 2-cyano-N-(2,4-dichlorophenyl)acetamide
- English name
- 2-CYANO-N-(2,4-DICHLORO-PHENYL)-ACETAMIDE
- Molecular formula
- C9H6Cl2N2O
- Molecular weight
- 229.06
Names & synonyms
2-cyano-N-(2,4-dichlorophenyl)acetamide17722-32-6DTXSID40351184RefChem:86568DTXCID80302251974-478-2Acetamide, 2-cyano-N-(2,4-dichlorophenyl)-MFCD001707782-Cyano-N-(2,4-dichloro-phenyl)-acetamide2-Cyano-N-(2,4-dichlorophenyl)-acetamideBosutinib Impurity N3Maybridge1_001442
Show more names
SKL9042-cyano-N-(2,4-dichlorophenyl)ethanamide
orb3030741SCHEMBL8626970HMS545J12Fr13434ALBB-008522BBL016436STK422112AKOS000115200
Database identifiers
- CAS
17722-32-6- PubChem CID
- 693146
- DTXSID
DTXSID40351184- EC Number
- 974-478-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 440.2 · 440.2±45.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- -1.74 · -1.74±0.10(Predicted)
- 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]
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers13 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
苏州明石新科生物科技有限公司13914069417 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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