Basic information
- CAS
329-78-2- Standard SMILES
O=C(CF)c1ccc(Cl)cc1- InChIKey
PYJRFTYRPATKFJ-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO
- Average molar mass
- 172.58 g/mol
- Monoisotopic mass
- 172.0091207
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-fluoroethan-1-one
- IUPAC
- 1-(4-chlorophenyl)-2-fluoroethanone
- English name
- 1-(4-Chlorophenyl)-2-fluoroethanone
- Molecular formula
- C8H6ClFO
- Molecular weight
- 172.58
Names & synonyms
1-(4-chlorophenyl)-2-fluoroethan-1-oneRefChem:425235875-298-61-(4-chlorophenyl)-2-fluoroethanone329-78-22-Fluoro-4'-chloroacetophenoneMFCD03412196NSC2658721-(4-chlorophenyl)-2-fluoro-ethanoneEthanone, 1-(4-chlorophenyl)-2-fluoro-Ethanone, 1-(4-chlorophenyl)-2-fluoro- (9CI)4-Fluoro-a-Chloroacetophenone
Show more names
Ticagrelor Impurity 2844-CHLOROPHENACYLFLUORIDE4-Fluoro-α-chloroacetophenone
SCHEMBL13508454-Fluoro-alpha-chloroacetophenoneDTXSID00313021PYJRFTYRPATKFJ-UHFFFAOYSA-NAKOS006222257AB90993NSC-265872AS-45743
Database identifiers
- CAS
329-78-2- PubChem CID
- 319899
- DTXSID
DTXSID00313021- EC Number
- 875-298-6
- Nikkaji
- J1.255.146K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 54 °C · 54 °C
- Boiling point
- 73 · 73-75 °C(Press: 0.4 Torr)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Off-white to light yellow Solid
- CAS DataBase Reference
- 329 · 329-78-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1759 · 1759
- HS Code
- 2914790090 · 2914790090
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
- ridadr
- 1759
- hs_code
- 2914790090
- risk_code
- 34-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
安徽合诺生物科技有限公司18455579438
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Related reactions
2 records
Compound notes
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