Basic information
- CAS
4072-67-7- Standard SMILES
O=C(CBr)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1- InChIKey
RTSLQVZQORGDQQ-UHFFFAOYSA-N- Molecular formula
- C16H12Br2O2
- Average molar mass
- 396.07 g/mol
- Monoisotopic mass
- 393.9204
Names & identifiers
- Preferred name
- Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo-
- IUPAC
- 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone
- English name
- 4,4'-Bis(2-bromoacetyl)biphenyl
- Molecular formula
- C16H12Br2O2
- Molecular weight
- 396.07
Names & synonyms
4,4'-Bis(2-bromoacetyl)biphenylEINECS 223-785-3Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo-DTXSID00632861,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromoethan-1-one]Ethanone, 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-bromo-1,1'-[1,1'-Biphenyl]-4,4'-diylbis[2-bromoethanone]1,1'-(1,1'-Biphenyl)-4,4'-diylbis(2-bromoethan-1-one)1,1'-(1,1'-Biphenyl)-4,4'-diylbis(2-bromoethanone)RefChem:592388DTXCID5039806223-785-3
Show more names
1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis(2-bromoethane-1-one4,4'-Bis(2-bromoacetDaclatasvir Intermediate 1-biphenyl]-4-yl]ethan-1-oneDaclatasvir Intermediates 24,4'-Bis(2-bromoacetyl)biphenyl(BABP)1,1'-(biphenyl-4,4'-diyl)bis(2-bromoethanone)
4072-67-71,1'-([1,1'-Biphenyl]-4,4'-diyl)bis(2-bromoethanone)2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanoneMFCD000178772-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis(2-bromoethanone);2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone4,4'-Bis(bromoacetyl)biphenylIsavuconazole Impurity 87NSC619613
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 226 · 226-227 °C(Solv: benzene (71-43-2))
- Boiling point
- 464.8 · 464.8±30.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2
- InChIKey
- RTSLQVZQORGDQQ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(C(=O)CBr)C=C2)=CC=C(C(=O)CBr)C=C1
- FDA UNII
- 2 D77YJA · UMK2D77YJA
- EPA Substance Registry System
- 1 · Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo- (4072-67-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29147000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo-: ACTIVE
Applications
Uses4,4'-Bis(2-bromoacetyl)biphenyl is an intermediate in laboratory research and development.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
苏州启航生物科技有限公司18151111370 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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