Basic information
- CAS
21854-95-5- Standard SMILES
O=C(C(=O)c1ccccc1Cl)c1ccccc1Cl- InChIKey
VOSNNSVWVJFJCR-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2O2
- Average molar mass
- 279.1 g/mol
- Monoisotopic mass
- 277.9901349
Names & identifiers
- Preferred name
- 1,2-Ethanedione, 1,2-bis(2-chlorophenyl)-
- IUPAC
- 1,2-bis(2-chlorophenyl)ethane-1,2-dione
- English name
- 2,2'-DICHLOROBENZIL
- Molecular formula
- C14H8Cl2O2
- Molecular weight
- 279.12
Names & synonyms
2,2'-DichlorobenzilBenzil, 2,2'-dichloro-1,2-Bis(2-chlorophenyl)-1,2-ethanedioneNSC 1148291,2-Ethanedione, 1,2-bis(2-chlorophenyl)-RefChem:412055Benzil, 2,2'-dichloro-(8CI)627-448-521854-95-51,2-bis(2-chlorophenyl)ethane-1,2-dioneEthanedione, bis(2-chlorophenyl)-MFCD00018263
Show more names
2,2'-dichlorobenzoyl2,2'-DICHLORBENZIL, 97%2,2'-Dichlorobenzil-98%2,2''-DICHLOROBENZIL 98+%2,2'-dichlorobiphenylformylBis(2-chlorophenyl) diketonebis(2-chlorophenyl)-ethanedion
2,2'-Dichlorodibenzoyl2,2//'-Dichlorobenzilbis(2-chlorophenyl)ethane-1,2-dioneNSC114829Benzil,2'-dichloro-2,2''-Dichlorobenzil2,2 inverted exclamation marka-DichlorobenzilBenzil-based compound, 10
Database identifiers
- CAS
21854-95-5- PubChem CID
- 89076
- DTXSID
DTXSID1066736- ChEMBL
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 132 · 132-136 °C (lit.)
- Boiling point
- 426.9 · 426.9±30.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- solid
- Appearance
- Light yellow to green yellow Solid
- BRN
- 2120689 · 2120689
- InChI
- InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
- InChIKey
- VOSNNSVWVJFJCR-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1Cl)(=O)C(C1=CC=CC=C1Cl)=O
- CAS DataBase Reference
- 21854 · 21854-95-5
- EPA Substance Registry System
- Ethanedione, bis(2-chlorophenyl)- (21854-95-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- risk_code
- 36-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H400
- Hazard Classifications
- Aquatic Acute 1Eye Irrit. 2
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanedione, 1,2-bis(2-chlorophenyl)-: INACTIVE
Applications
Uses1,2-Bis(2-chlorophenyl)-1,2-ethanedione is a key intermediate in the synthesis of substituted benzils and analogs with biological and pharmacological properties.
Suppliers73 total
河南萨克斯生物科技有限公司13803717460 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
长春三邦医药科技有限公司0431-81884431 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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