Basic information
- Standard SMILES
COc1cc(NC(=O)CC#N)c(Cl)cc1Cl- InChIKey
RPWHAQJEZWBZGX-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N2O2
- Average molar mass
- 259.09 g/mol
- Monoisotopic mass
- 257.99628286
Names & identifiers
- Preferred name
- 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide
- IUPAC
- 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide
- English name
- 2-CYANO-N-(2,4-DICHLORO-5-METHOXYPHENYL) ACETAMIDE
- Molecular formula
- C10H8Cl2N2O2
- Molecular weight
- 259.09
Names & synonyms
2-CYANO-N-(2,4-DICHLORO-5-METHOXYPHENYL)ACETAMIDE846023-24-3DTXSID70582702EC 617-590-6RefChem:86567DTXCID80533467617-590-6Bosutinib Impurity 29Acetamide, 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-MFCD105656012-CYANO-N-(2,4-DICHLORO-5-METHOXYPHENYL) ACETAMIDEN-(2,4-Dichloro-5-methoxyphenyl)-2-cyanoacetamide
Show more names
2-Cyano-N-(2,4-Dichloro-5-methoxyphenyl)ethylAmide
K3SP4M83RWAcetamide,2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-SCHEMBL4961490SKL780RPWHAQJEZWBZGX-UHFFFAOYSA-NAKOS015890723DS-18356SY116645
Database identifiers
- CAS
846023-24-3- PubChem CID
- 16099178
- DTXSID
DTXSID70582702- UNII
- K3SP4M83RW
- EC Number
- 617-590-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 180 · 180-181 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 462.4 · 462.4±45.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.71 · -1.71±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
- InChIKey
- RPWHAQJEZWBZGX-UHFFFAOYSA-N
- SMILES
- C(NC1=CC(OC)=C(Cl)C=C1Cl)(=O)CC#N
- CAS DataBase Reference
- 846023 · 846023-24-3
- FDA UNII
- 3 SP4M83RW · K3SP4M83RW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide (EC: 617-590-6)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- REACH Registrations
- Active
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide (cas# 846023-24-3) is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
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Related reactions
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