Basic information
- CAS
728-84-7- Standard SMILES
O=C(c1ccccc1)C(Br)C(=O)c1ccccc1- InChIKey
BYAJHZYXPBREEK-UHFFFAOYSA-N- Molecular formula
- C15H11BrO2
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 301.99424
Names & identifiers
- Preferred name
- 1,3-Propanedione, 2-bromo-1,3-diphenyl-
- IUPAC
- 2-bromo-1,3-diphenylpropane-1,3-dione
- English name
- 2-bromo-1,3-diphenyl-3-propanedione
- Molecular formula
- C15H11BrO2
- Molecular weight
- 303.15
Names & synonyms
728-84-7Bromodibenzoylmethane2-Bromo-1,3-diphenyl-1,3-propanedione1,3-PROPANEDIONE, 2-BROMO-1,3-DIPHENYL-NSC 32217BRN 0612475AI3-16123Bromo-dibenzoyl-methaneDTXSID80610584-07-00-02515 (Beilstein Handbook Reference)RefChem:72943DTXCID8047349
Show more names
Dibenzoyl(bromo)methanedibenzeneformylmethylbromo2-bromo-1,3-diphenyl-3-propanedione1,3-Diphenyl-2-bromopropane-1,3-dione1,3-Diphenyl-2-bromo-1,3-propanedione2-Bromo-1,3-diphenylpropane-1,3-dione 97%α-Bromodibenzoylmethane, Dibenzoylmethylbromide
BYAJHZYXPBREEK-UHFFFAOYSA-N2-Bromo-1,3-diphenylpropane-1,3-dioneDibenzoylbromomethaneMethane, dibenzoylbromo-2-Bromo-1,3-diphenyl-propane-1,3-dioneMFCD000206872-BROMODIBENZOYLMETHANEDibenzoylmethylbromide
Database identifiers
- CAS
728-84-7- PubChem CID
- 12890
- DTXSID
DTXSID8061058
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 89 · 89-93 °C
- Boiling point
- 403.4 · 403.4±30.0 °C(Predicted)
- Density
- 1.4631 · 1.4631 (rough estimate)
- refractive index
- 1.465 · 1.4650 (estimate)
- pka
- 5.17 · 5.17±0.26(Predicted)
- form
- solid
- InChI
- 1S/C15H11BrO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13H
- InChIKey
- BYAJHZYXPBREEK-UHFFFAOYSA-N
- SMILES
- BrC(C(=O)c1ccccc1)C(=O)c2ccccc2
- EPA Substance Registry System
- 1 · 1,3-Propanedione, 2-bromo-1,3-diphenyl- (728-84-7)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335-H400
- Precautionary statements
- 261 · P261-P273-P301+P310-P305+P351+P338
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ1925000
- ridadr
- UN 3077 9/PG 3
- risk_code
- 22-36/37/38-50
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-61
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335-H400
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanedione, 2-bromo-1,3-diphenyl-: INACTIVE
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
赛诺威（厦门）科技有限公司请加微信(同手机号)或QQ询价 13876246362 · [email protected]
常州合晶化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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