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7789-33-5 molecular structure
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iodobromane

ChemBase ID: 127832
Molecular Formular: BrI
Molecular Mass: 206.80847
Monoisotopic Mass: 205.82281
SMILES and InChIs

SMILES:
BrI
Canonical SMILES:
BrI
InChI:
InChI=1S/BrI/c1-2
InChIKey:
CBEQRNSPHCCXSH-UHFFFAOYSA-N

Cite this record

CBID:127832 http://www.chembase.cn/molecule-127832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iodobromane
IUPAC Traditional name
iodine monobromide
Synonyms
Bromoiodine
Iodine monobromide
Iodine monobromide solution
Iodine bromide
Iodine monobromide
Iodine according to Hanus for the iodine value determination
Iodine bromide solution
Hanus solution
溴化碘
一溴化碘
一溴化碘 溶液
单溴化碘
溴化碘 溶液
用于测定碘值的 Hanus 碘
哈纳斯 溶液
CAS Number
7789-33-5
EC Number
232-159-9
MDL Number
MFCD00011353
Beilstein Number
3587194
3902973
Merck Index
145016
PubChem SID
24853459
162222150
24861745
24857506
PubChem CID
82238
Chemspider ID
74216
Wikipedia Title
Iodine_monobromide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3709532  LogD (pH = 7.4) 1.3709532 
Log P 1.3709532  Molar Refractivity 22.076 cm3
Polarizability 9.510373 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
dark red solid expand Show data source
Grey to black crystalline expand Show data source
Melting Point
42°C expand Show data source
42-50 °C(lit.) expand Show data source
50°C subl expand Show data source
50°C subl. expand Show data source
Boiling Point
116°C expand Show data source
116°C dec. expand Show data source
Flash Point
104 °F expand Show data source
40 °C expand Show data source
None expand Show data source
Density
1.458 g/mL at 25 °C expand Show data source
4.416 expand Show data source
4.416 g/mL at 25 °C(lit.) expand Show data source
Storage Warning
Moisture & Light Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2789 expand Show data source
3260 expand Show data source
3264 expand Show data source
UN3260 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-35 expand Show data source
34 expand Show data source
34-40 expand Show data source
Safety Statements
20-26-36/37/39-45-60 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
H314 expand Show data source
H314-H318 expand Show data source
H314-H351 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2789 8/PG 2 expand Show data source
UN 3260 8/PG 2 expand Show data source
UN 3264 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
98% min expand Show data source
Concentration
0.1 M IBr expand Show data source
1.0 M in methylene chloride expand Show data source
Impurities
acetic acid expand Show data source
Quality
volumetric expand Show data source
Linear Formula
IBr expand Show data source
Empirical Formula (Hill Notation)
BrI expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 291021 external link
Packaging
100 mL in Sure/Seal™
Sigma Aldrich - 224847 external link
Application
Electrophile employed in a new synthetic approach to polyketide structural units.1
Packaging
50, 250 g in glass bottle
Sigma Aldrich - 35097 external link
Caution
Storage is limited
General description
Visit our Titration Center to learn more.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Selective brominating agent, considered to be intermediate in electrophilic power between bromine and iodine: J. Chem. Soc., 1509 (1939); J. Am. Chem. Soc., 60, 256 (1938); Chem. Commun., 849 (1968).
  • • Also found to give higher diastereoselectivity than iodine in the cyclization of certain homoallylic carbonates: Tetrahedron Lett., 33, 6439 (1992).
  • • Reagent for mild, selective deprotection of TBDMS ethers in carbohydrates and nucleosides: Synlett, 311 (1999).
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PATENTS

PATENTS

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INTERNET

INTERNET

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