Basic information
- CAS
4981-63-9- Standard SMILES
CCCC(=O)c1ccc(Cl)cc1- InChIKey
XLCJPQYALLFIPW-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.0498427
Names & identifiers
- Preferred name
- 4'-Chlorobutyrophenone
- IUPAC
- 1-(4-chlorophenyl)butan-1-one
- English name
- 4'-CHLOROBUTYROPHENONE
- Molecular formula
- C10H11ClO
- Molecular weight
- 182.65
Names & synonyms
4'-Chlorobutyrophenone1-Butanone, 1-(4-chlorophenyl)-1-(4-Chlorophenyl)-1-butanoneEINECS 225-631-0AI3-04096DTXSID50870811RefChem:506070DTXCID00818501225-631-04981-63-91-(4-chlorophenyl)butan-1-onep-Chlorobutyrophenone
Show more names
4-CHLOROBUTYROPHENONE4-Chlorobutyrophenone99%4'-Chlorobutyrophenone >4''-CHLOROBUTYROPHENONE 99%4-CHLOROPHENYL N-PROPYL KETONE
MFCD00013647Butyrophenone, 4'-chloro-4-Chlorophenyl propyl ketone4 CHLOROBUTYRO PHENONESCHEMBL318783Q8PTC88P96SCHEMBL3034225SCHEMBL3443223
Database identifiers
- CAS
4981-63-9、939-52-6- PubChem CID
- 70321
- DTXSID
DTXSID50870811- UNII
- Q8PTC88P96
- EC Number
- 225-631-0
- Nikkaji
- J101.957K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 36 · 36-39 °C
- Boiling point
- 253 · 253-254 °C
- Density
- 1 · 1,14 g/cm3
- refractive index
- 1.5169 · 1.5169 (estimate)
- Flash point
- 253 · 253-254°C
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1864288 · 1864288
- CAS DataBase Reference
- 4981 · 4981-63-9(CAS DataBase Reference)
- FDA UNII
- 8 PTC88P96 · Q8PTC88P96
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 24 · 24/25
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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. 4 (97.5%)
Safety data
- hs_code
- 29146990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses4'-Chlorobutyrophenone is used in the synthesis of aromatic terminal allenes and aliphatic terminal alkynes from hydrazones.
Uses4''-Chlorobutyrophenone is used in the synthesis of aromatic terminal allenes and aliphatic terminal alkynes from hydrazones.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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