Bromo[2-(ethoxycarbonyl-kappaO)phenyl-kappaC]zinc
Basic information
- CAS
131379-40-3- Standard SMILES
CCOC(=O)c1[c-]cccc1.[Zn+][Br]- InChIKey
LRSRESIMIGVTLH-UHFFFAOYSA-M- Molecular formula
- C9H9BrO2Zn
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 291.90773
Names & identifiers
- Preferred name
- Bromo[2-(ethoxycarbonyl-kappaO)phenyl-kappaC]zinc
- IUPAC
- bromozinc(1+);ethyl benzoate
- English name
- 2-(Ethoxycarbonyl)phenylzinc bromide
- Molecular formula
- C9H10BrO2Zn
- Molecular weight
- 295.46
Names & synonyms
131379-40-3Bromo(2-(ethoxycarbonyl-kappaO)phenyl-kappaC)zincBromo[2-(ethoxycarbonyl-kappaO)phenyl-kappaC]zincRefChem:330240bromozinc(1+);ethyl benzoate2-ETHOXYCARBONYLPHENYLZINC BROMIDE2-(ETHOXYCARBONYL)PHENYLZINC BROMIDEMFCD01863743SCHEMBL2438241AKOS0160180692-(Ethoxycarbonyl)phenylzinc bromide, 0.5M in THF2-(Ethoxycarbonyl)phenylzinc bromide, 0.50 M in THF
Show more names
2-(ethoxycarbonyl)phenylzinc bromide solution2-(Ethoxycarbonyl)phenylzinc bromide solution 0.5 in THF2-(Ethoxycarbonyl)phenylzinc bromide solution 0.5M in THF2-(Ethoxycarbonyl)phenylzinc bromide, 0.50 M in THF - [E73124]2-(ETHOXYCARBONYL)PHENYLZINC BROMIDE, 0. 5M SOLUTION IN TETRAHYDROFURAN2-(Ethoxycarbonyl)phenylzinc broMide, 0.5M in THF, packaged under Argon in resealable CheMSeal^t bottles
2-Ethoxycarbonylphenylzinc bromide 0.5 M in Tetrahydrofuran
Database identifiers
- CAS
131379-40-3- PubChem CID
- 3330883
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Density
- 0.992 g/mL · 0.992 g/mL at 25 °C
- Flash point
- 1 °F · 1 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C9H9O2.BrH.Zn/c1-2-11-9(10)8-6-4-3-5-7-8;;/h3-6H,2H2,1H3;1H;/q;;+1/p-1
- InChIKey
- XOFOTLKSCXXHTH-UHFFFAOYSA-M
- SMILES
- CCOC(=O)c1ccccc1[Zn]Br
- CAS DataBase Reference
- 131379 · 131379-40-3
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H319-H335-H351
- Precautionary statements
- 210 · P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235
- target organs
- Central nervous system, Respiratory system
- Hazard Codes
- F,Xn
- Risk Statements
- 19 · 19-22-36/38-40-36/37-14-11
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
- wgk
- 1
- ridadr
- UN 2056 3/PG 2
- risk_code
- 19-22-36/38-40-36/37-14-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-26-33-36-36/37
- Storage Class
- 3 - Flammable liquids
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H225-H302-H319-H335-H351
- Hazard Classifications
- Carc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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