Basic information
- CAS
3760-66-5- Standard SMILES
O=C(c1ccc(Cl)cc1)C(Br)CCCl- InChIKey
FJDWOHFEUUFTDH-UHFFFAOYSA-N- Molecular formula
- C10H9BrCl2O
- Average molar mass
- 295.98 g/mol
- Monoisotopic mass
- 293.92138
Names & identifiers
- Preferred name
- 2-Bromo-4-chloro-1-(4-chlorophenyl)butan-1-one
- IUPAC
- 2-bromo-4-chloro-1-(4-chlorophenyl)butan-1-one
- English name
- 2-bromo-4,4'-dichlorobutyrophenone
- Molecular formula
- C10H9BrCl2O
- Molecular weight
- 295.99
Names & synonyms
2-bromo-4-chloro-1-(4-chlorophenyl)butan-1-one3760-66-52-Bromo-4,4'-dichlorobutyrophenoneEINECS 223-176-2MFCD19346830C10H9BrCl2O1-Butanone,2-bromo-4-chloro-1-(4-chlorophenyl)-SCHEMBL9064567DTXSID40958652CS2031GEO-04588AKOS022357545
Show more names
4-chlorophenyl 1-bromo-3chloropropyl ketoneDB-163995CS-0359093NS000464854-chlorophenyl 1-bromo-3-chloropropyl ketone2-Bromo-4-chloro-1-(4-chlorophenyl)-1-butanone4-chloro-phenyl 1-bromo-3-chloro-n-propyl ketoneF462435
Database identifiers
- CAS
3760-66-5- PubChem CID
- 107167
- DTXSID
DTXSID40958652- EC Number
- 223-176-2
- Nikkaji
- J217.655F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 71 · 71-73 °C
- Boiling point
- 363.5 · 363.5±32.0 °C(Predicted)
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914120000 · 2914120000
Safety & regulation
Safety data
- hs_code
- 2914120000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.
Related reactions
18 records
Compound notes
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