Basic information
- CAS
219529-31-4- Standard SMILES
N#CCC(=O)Nc1ccc(F)c(Cl)c1- InChIKey
KRDXNYGEOLWCLC-UHFFFAOYSA-N- Molecular formula
- C9H6ClFN2O
- Average molar mass
- 212.61 g/mol
- Monoisotopic mass
- 212.0152687
Names & identifiers
- Preferred name
- N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide
- IUPAC
- N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide
- English name
- N-(3-CHLORO-4-FLUORO-PHENYL)-2-CYANO-ACETAMIDE
- Molecular formula
- C9H6ClFN2O
- Molecular weight
- 212.61
Names & synonyms
N-(3-chloro-4-fluorophenyl)-2-cyanoacetamide219529-31-4DTXSID90353254RefChem:361282DTXCID40304317N-(3-Chloro-4-fluoro-phenyl)-2-cyano-acetamideMFCD00116883Acetamide, N-(3-chloro-4-fluorophenyl)-2-cyano-N-(3-Chloro-4-fluorophenyl)-2-cyano-acetamide;HMS544L18Maybridge1_001140SCHEMBL4620182
Show more names
CBI-BB ZERO/005582KRDXNYGEOLWCLC-UHFFFAOYSA-NAKOS BBS-00006549SBB013497STK777601AKOS000115051BS-4205DB-308573
Database identifiers
- CAS
219529-31-4- PubChem CID
- 737516
- DTXSID
DTXSID90353254- EC Number
- 885-365-1
- Nikkaji
- J2.183.069K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 420.7 · 420.7±45.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- solubility
- Tetrahydrofuran
- form
- Solid
- pka
- -1.7 · -1.70±0.10(Predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-(3-Chloro-4-fluorophenyl)-2-cyanoacetamide (cas# 219529-31-4) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers9 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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