ChemicalBook--->CAS DataBase List--->31139-36-3

31139-36-3

31139-36-3 Structure

31139-36-3 Structure
IdentificationMore
[Name]

Dibenzyl dicarbonate
[CAS]

31139-36-3
[Synonyms]

DIBENZYL DICARBONATE
DIBENZYL OXYDIFORMATE
DIBENZYL PYROCARBONATE
PYROCARBONIC ACID DIBENZYL ESTER
Z2O
Dibenzyl pyrocarbonate, Z2O
[Molecular Formula]

C16H18O6
[MDL Number]

MFCD00043124
[Molecular Weight]

306.31
[MOL File]

31139-36-3.mol
Chemical PropertiesBack Directory
[Melting point ]

29-32 °C (lit.)
[Boiling point ]

388.65°C (rough estimate)
[density ]

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

1.5000 (estimate)
[Fp ]

>230 °F
[storage temp. ]

−20°C
[form ]

powder to crystal
[color ]

White to Almost white
[BRN ]

4324796
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
[InChIKey]

FHRRJZZGSJXPRQ-UHFFFAOYSA-N
[SMILES]

C1(=CC=CC=C1)COC(=O)OC(=O)OCC1C=CC=CC=1
[CAS DataBase Reference]

31139-36-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

4.4-10-21
[HS Code ]

29209090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Dibenzyl Dicarbonate is a chemical reagent used in the chemical modification of histidine residues in horseradish peroxidase.
[Synthesis Reference(s)]

Tetrahedron Letters, 27, p. 5375, 1986 DOI: 10.1016/S0040-4039(00)85214-4
Spectrum DetailBack Directory
[Spectrum Detail]

Dibenzyl dicarbonate(31139-36-3)1HNMR
Dibenzyl dicarbonate(31139-36-3)IR
Dibenzyl dicarbonate(31139-36-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

31139-36-3(sigmaaldrich)
[TCI AMERICA]

Dibenzyl Pyrocarbonate,>97.0%(T)(31139-36-3)
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