Basic information
- CAS
6305-04-0- Standard SMILES
O=C(CCl)c1ccc(O)cc1- InChIKey
PPPIAEPDQPCIIM-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.0134572
Names & identifiers
- Preferred name
- 2-Chloro-1-(4-hydroxyphenyl)ethan-1-one
- IUPAC
- 2-chloro-1-(4-hydroxyphenyl)ethanone
- English name
- 2-CHLORO-4'-HYDROXYACETOPHENONE
- Molecular formula
- C8H7ClO2
- Molecular weight
- 170.59
Names & synonyms
2-Chloro-1-(4-hydroxyphenyl)ethan-1-oneRefChem:468417228-613-02-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-02-Chloro-4'-hydroxyacetophenone2-Chloro-1-(4-hydroxy-phenyl)-ethanone4'-hydroxy-2-chloroacetophenoneEthanone, 2-chloro-1-(4-hydroxyphenyl)-MFCD00229893Chlorophenacylep-(Chloroacetyl)phenol
Show more names
Isoproterenol Impurity 3Isoprenaline Impurity 284-hydroxyphenacylchlorideP- HYDROXY PHENACYL CHLORIDE
p-Hydroxyphenacyl chloride4-Hydroxyphenacyl chlorideEINECS 228-613-0BRN 20863262-chloro-1-(4-hydroxyphenyl)-ethanonIsoproterenol Impurity 1Isoproterenol Impurity 14-08-00-00349 (Beilstein Handbook Reference)
Database identifiers
- CAS
6305-04-0- PubChem CID
- 80557
- DTXSID
DTXSID3075258- EC Number
- 228-613-0
- Nikkaji
- J71.688J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 145 · 145-146 °C
- Boiling point
- 241.44 °C · 241.44°C (rough estimate)
- Density
- 1.2315 · 1.2315 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 7.72 · 7.72±0.15(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 6305 · 6305-04-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Ethanone, 2-chloro-1-(4-hydroxyphenyl)- (6305-04-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-1-(4-hydroxy-phenyl)-ethanone is a reagent that is used in the preparation of hydroxypyrimidine derivatives and their HDAC (histone deacetylases) inhibitory activity.
Preparation methods
PreparationAlso obtained by reaction of acetyl chloride with anisole in the presence of aluminium chloride in n-heptane at 35° for 4 h 30 min (20%).
Upstream & downstream products
Downstream products
Suppliers72 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…