ChemicalBook--->CAS DataBase List--->685-87-0

685-87-0

685-87-0 Structure

685-87-0 Structure
IdentificationMore
[Name]

DIETHYL BROMOMALONATE
[CAS]

685-87-0
[Synonyms]

2-BROMO-MALONIC ACID DIETHYL ESTER
BROMO DIETHYL MALONATE
BROMOMALONIC ACID DIETHYL ESTER
DIETHYL BROMOMALONATE
ETHYL BROMOMALONATE
RARECHEM AL BI 0815
alpha-Bromomalonic ester
bromo-propanedioicacidiethylester
Diethyl 2-bromomalonate
Diethyl alpha-bromomalonate
Malonic acid, bromo-, diethyl ester
DIETHYL BROMOMALONATE, ~85-95%
Diethyl bromomalonate, 95+%
Diethyl bromomalonate, 90-95%
Propanedioic acid, bromo-, diethyl ester
Diethyl bromomalonate, 90+%
[EINECS(EC#)]

211-683-1
[Molecular Formula]

C7H11BrO4
[MDL Number]

MFCD00009138
[Molecular Weight]

239.06
[MOL File]

685-87-0.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
[Melting point ]

-54°C
[Boiling point ]

233-235 °C (lit.)
[density ]

1.402 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.451(lit.)
[Fp ]

>230 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Liquid
[pka]

9.29±0.46(Predicted)
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.402
[Water Solubility ]

Does not mix well with water.
[Sensitive ]

Lachrymatory
[Detection Methods]

GC,NMR,MS
[BRN ]

509768
[CAS DataBase Reference]

685-87-0(CAS DataBase Reference)
[EPA Substance Registry System]

Propanedioic acid, 2-bromo-, 1,3-diethyl ester (685-87-0)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[F ]

19
[Hazard Note ]

Corrosive/Lachrymator
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29171900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Tetrahydrofuran-->PETROLEUM ETHER-->Sodium carbonate-->Government regulation-->Carbon tetrachloride-->Diethyl malonate
[Preparation Products]

3-Methylbenzofuran-2-carboxylic acid-->Benzofuran-2-carboxylic acid-->5-METHOXYBENZOFURAN-2-BORONIC ACID-->2-ETHOXYCARBONYL-3-COUMARANONE-->1-Oxo-1H-isochromene-3-carboxylic Acid-->Diethyl allylmalonate-->ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE-->Diethyl chloromalonate-->5-NITROBENZOFURAN-2-CARBOXYLIC ACID-->ETHYL(5-BROMOBENZOFURAN)-2-CARBOXYLATE-->Ethyl 4-hydroxy-2-(pyridin-3-yl)thiazole-5-carboxylate-->ETHYL 4-HYDROXY-2-(4-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXYLATE
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
[Uses]

Diethyl Bromomalonate is a chemical constituent of the asymmetric cyclopropanation of chalcones. Also used in the preparation of nanaplatforms for NIR imaging-guided photodynamic therapy of cancer cel ls.
[Uses]

Diethyl bromomalonate is used in perfumes. It is also used to synthesize other compounds such as barbiturates, artificial flavorings, vitamin B1, and vitamin B6.
[Purification Methods]

Purify the ester by fractional distillation in a vacuum. IR: max 1800 and 1700cm-1 [Abramovitch Can J Chem 37 1146 1959, Bretschneider & Karpitschka Monatsh Chem 84 1091 1053]. [Beilstein 2 IV 1904.]
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL BROMOMALONATE(685-87-0)MS
DIETHYL BROMOMALONATE(685-87-0)1HNMR
DIETHYL BROMOMALONATE(685-87-0)13CNMR
DIETHYL BROMOMALONATE(685-87-0)IR1
DIETHYL BROMOMALONATE(685-87-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl bromomalonate, 90-95%(685-87-0)
[Alfa Aesar]

Diethyl bromomalonate, 90+%(685-87-0)
[Sigma Aldrich]

685-87-0(sigmaaldrich)
[TCI AMERICA]

Diethyl Bromomalonate,>85.0%(GC)(685-87-0)
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