Basic information
- CAS
30095-48-8- Standard SMILES
CC(C)Cc1ccc(C(=O)CBr)cc1- InChIKey
JQUBVKCMLJPLLH-UHFFFAOYSA-N- Molecular formula
- C12H15BrO
- Average molar mass
- 255.15 g/mol
- Monoisotopic mass
- 254.0306272
Names & identifiers
- Preferred name
- 2-Bromo-1-(4-(2-methylpropyl)phenyl)ethan-1-one
- IUPAC
- 2-bromo-1-[4-(2-methylpropyl)phenyl]ethanone
- English name
- 2-bromo-1-(4-isobutylphenyl)ethanone
- Molecular formula
- C12H15BrO
- Molecular weight
- 255.15
Names & synonyms
30095-48-82-bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-oneDTXSID605459672-Bromo-1-(4-(2-methylpropyl)phenyl)ethan-1-oneRefChem:256818DTXCID90496751858-681-22-bromo-1-(4-isobutylphenyl)ethanone2-BROMO-1-[4-(2-METHYLPROPYL)PHENYL]ETHANONEEthanone, 2-bromo-1-[4-(2-methylpropyl)phenyl]-SCHEMBL4818283JQUBVKCMLJPLLH-UHFFFAOYSA-N
Show more names
ALBB-034445FBA09548MFCD09034649AKOS000210261DA-269612-bromo-1-(4-isobutylphenyl)ethan-1-oneCS-0216485EN300-44889
Database identifiers
- CAS
30095-48-8- PubChem CID
- 13656337
- DTXSID
DTXSID60545967- EC Number
- 858-681-2
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
- 181
Physicochemical properties
- Boiling point
- 314.4 · 314.4±25.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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