Basic information
- CAS
3043-28-5- Standard SMILES
CC(=O)C(Br)C(C)=O- InChIKey
KCHDFLHQXZRDKL-UHFFFAOYSA-N- Molecular formula
- C5H7BrO2
- Average molar mass
- 179.01 g/mol
- Monoisotopic mass
- 177.96294156
Names & identifiers
- Preferred name
- 3-Bromopentane-2,4-dione
- IUPAC
- 3-bromopentane-2,4-dione
- English name
- 3-broMopentane-2,4-dione
- Molecular formula
- C5H7BrO2
- Molecular weight
- 179.01
Names & synonyms
3-bromopentane-2,4-dione3043-28-5DTXSID60326692RefChem:277777DTXCID902778052,4-Pentanedione, 3-bromo-3-Brom-acetylaceton3-Bromo-2,4-pentandione3-bromo-pentane-2,4-dioneSCHEMBL2073732KCHDFLHQXZRDKL-UHFFFAOYSA-NAKOS016009350
Show more names
3-Bromo-2,4-pentanedione
CS-0227473
Database identifiers
- CAS
3043-28-5- PubChem CID
- 355641
- DTXSID
DTXSID60326692- Nikkaji
- J502.310F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- Boiling point
- 23 · 23-24 °C
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H341
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H311-H331-H341
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
苏州西特罗生物医药科技有限公司2921645477 · [email protected]
上海堃睿化工科技有限公司+86-021-50935922
上海百韧生物科技有限公司13564638271 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
台州盛泉医药科技有限公司（原台州昌源）15005869072 · [email protected]
重庆卡兰医药有限公司[email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
4 records
Compound notes
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