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Molecule
ID:126258
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
CH₂BrI
Molecular Mass
220.83505
Exact Mass
219.83846006
Charge
0
InChI
InChI=1S/CH2BrI/c2-1-3/h1H2
InChIKey
TUDWMIUPYRKEFN-UHFFFAOYSA-N
Canonic Smiles
BrCI
Isomeric Smiles
BrCI
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0509079
LogD (pH = 7.4)
2.0509079
Log P
2.0509079
Molar Refractivity
26.966
Polarizability
11.111801
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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IUPAC name
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IUPAC Systematic name
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Academic Data
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Bromoiodomethane
PubChem
68407
Commercial Catalog
Sigma Aldrich
533874
Names and Identifiers
IUPAC name
bromo(iodo)methane
IUPAC Systematic name
Bromo(iodo)methane
Synonyms
Bromomethyl iodide
Bromoiodomethane
Iodobromomethane
溴碘甲烷
Bromoiodomethane
IUPAC Traditional name
bromoiodomethane
Registration numbers
PubChem CID
68407
Chemspider ID
61690
Wikipedia Title
Bromoiodomethane
CAS Number
557-68-6
PubChem SID
24877999
162220597
MDL Number
MFCD00041452
Molecule Details
Wikipedia
Bromoiodomethane
Sigma Aldrich
533874
Packaging
25 g in glass bottle
Application
Reactant for:
• Carbene insertion reactions1
• Ultrafast photodissociation2
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
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PubChem CID
•
Chemspider ID
•
Wikipedia Title
•
CAS Number
•
PubChem SID
•
MDL Number
Properties
Safety Information
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
R37/38
,
R41
Source
37/38
-
41
Source
Safety Statements
S26
,
S36/39
Source
26
-
36/39
Source
GHS Signal Word
DANGER
Source
Danger
Source
GHS Hazard statements
315,318,335
Source
H315
-
H318
-
H335
Source
GHS Precautionary statements
261,280,305+351+338
Source
P261
-
P280
-
P305+P351+P338
Source
MSDS Link
Download link
Source
German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Physical Property
Boiling Point
138 - 141°C
Source
138-141 °C(lit.)
Source
Melting Point
0.85°C (274K)
Source
Refractive Index
1.6382
Source
n20/D 1.6382(lit.)
Source
Density
2.93 g mL
-1
Source
2.93 g/mL at 25 °C(lit.)
Source
Colourless liquid
Source
Product Information
Contains
copper as stabilizer
Source
Purity
97%
Source
Linear Formula
BrCH2I
Source
Apperance