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128611-93-8 molecular structure
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(2-bromophenyl)methyl 2,5-dioxopyrrolidin-1-yl carbonate

ChemBase ID: 147899
Molecular Formular: C12H10BrNO5
Molecular Mass: 328.1155
Monoisotopic Mass: 326.97423443
SMILES and InChIs

SMILES:
c1ccc(c(c1)COC(=O)ON1C(=O)CCC1=O)Br
Canonical SMILES:
O=C(ON1C(=O)CCC1=O)OCc1ccccc1Br
InChI:
InChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKey:
SZDNRTVADOCWKU-UHFFFAOYSA-N

Cite this record

CBID:147899 http://www.chembase.cn/molecule-147899.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-bromophenyl)methyl 2,5-dioxopyrrolidin-1-yl carbonate
IUPAC Traditional name
(2-bromophenyl)methyl 2,5-dioxopyrrolidin-1-yl carbonate
Synonyms
Z(2-Br)-OSu
N-(2-Bromobenzyloxycarbonyloxy)succinimide
Z(2-Br)-OSu, N-(2-Bromobenzyloxycarbonyloxy)succinimide
2-Bromobenzyl succinimidyl carbonate
2-Bromobenzyl succinimdyl carbonate
N-(2-Bromobenzyloxycarbonyloxy)succinimide
N-(2-Bromobenzyloxycarbonyloxy)succinimide
N-(2-溴苄氧基羰基氧基)琥珀酰亚胺
Z(2-Br)-OSu,N-(2-溴苄氧羰酰氧基)丁二酰亚胺
2-溴苄基-N-琥珀酰亚胺基碳酸酯
N-(2-溴苄氧羰氧基)丁二酰亚胺
CAS Number
128611-93-8
MDL Number
MFCD00082848
Beilstein Number
3623239
PubChem SID
162242080
PubChem CID
598169

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.634148  H Acceptors
H Donor LogD (pH = 5.5) 2.2587566 
LogD (pH = 7.4) 2.2587566  Log P 2.2587566 
Molar Refractivity 67.0565 cm3 Polarizability 26.482992 Å3
Polar Surface Area 72.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
105-108°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN3335 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
24-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P363-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Empirical Formula (Hill Notation)
C12H10BrNO5 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Reagent for introduction of the 2-bromobenzyloxycarbonyl group, recommended for protection of the phenol group of tyrosine residues in peptide synthesis. The group is cleaved quantitatively by HF: J. Org. Chem., 38, 591 (1973). See Appendix 6.
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PATENTS

PATENTS

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INTERNET

INTERNET

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