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64-69-7 molecular structure
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2-iodoacetic acid

ChemBase ID: 103328
Molecular Formular: C2H3IO2
Molecular Mass: 185.94849
Monoisotopic Mass: 185.91777734
SMILES and InChIs

SMILES:
OC(=O)CI
Canonical SMILES:
OC(=O)CI
InChI:
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey:
JDNTWHVOXJZDSN-UHFFFAOYSA-N

Cite this record

CBID:103328 http://www.chembase.cn/molecule-103328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodoacetic acid
IUPAC Traditional name
iodoacetic acid
Synonyms
Iodoacetate
Monoiodo Acetate
MIA
IODOACETIC ACID
2-iodoacetic acid
Iodoacetic acid
碘乙酸
CAS Number
64-69-7
EC Number
200-590-1
MDL Number
MFCD00002685
Beilstein Number
1739079
Merck Index
145025
PubChem SID
162103121
24896056
24844927
PubChem CID
5240
CHEMBL
376280
Chemspider ID
5050
Wikipedia Title
Iodoacetic_acid

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0473845  H Acceptors
H Donor LogD (pH = 5.5) -1.6969876 
LogD (pH = 7.4) -2.7464745  Log P 0.7222152 
Molar Refractivity 25.7275 cm3 Polarizability 10.510372 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble, clear to hazy expand Show data source
Apperance
faintly yellow expand Show data source
white to off-white powder expand Show data source
white to yellow powder or flakes expand Show data source
Melting Point
77-79 °C(lit.) expand Show data source
77-83°C expand Show data source
79-82°C expand Show data source
80-84 °C expand Show data source
81°C expand Show data source
Boiling Point
208°C expand Show data source
208°C dec. expand Show data source
Storage Condition
0°C, Protect from light expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
AI3500000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2923 expand Show data source
UN2923 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
1 expand Show data source
II expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
25-35 expand Show data source
R:25-35 expand Show data source
Safety Statements
1/2-22-36/37/39-45 expand Show data source
22-36/37/39-45 expand Show data source
S:22-45-36/37/39 expand Show data source
EU Classification
CT2 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P301 + P310-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
RID/ADR
UN 2923 8/PG 1 expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
~99% expand Show data source
≥99.0% (T) expand Show data source
≥99.5% (T) expand Show data source
97+% expand Show data source
98% expand Show data source
Grade
puriss. p.a. expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 500 mg expand Show data source
Ignition Residue
≤0.02% (as SO4) expand Show data source
Impurities
≤0.1% water expand Show data source
Cation Traces
Cd: ≤1 mg/kg expand Show data source
Cu: ≤1 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
Pb: ≤1 mg/kg expand Show data source
Zn: ≤1 mg/kg expand Show data source
Antion Traces
iodide (I-): ≤0.01% expand Show data source
Linear Formula
ICH2CO2H expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich MP Biomedicals MP Biomedicals
Sigma Aldrich - I6806 external link
Application
Enolic radical1 and ketene2 precursor. SH modifier.3
Reagent for the modification of cysteine residues in proteins.
Packaging
100 g in glass bottle
Sigma Aldrich - I8136 external link
Application
蛋白质中半胱氨酸残基的改性剂。
包装
氩气下密封的安瓿瓶包装
Sigma Aldrich - I4386 external link
Application
蛋白质中半胱氨酸残基的改性剂。
包装
10, 25, 100 g in glass bottle
Sigma Aldrich - 57840 external link
Application
Reagent for the modification of cysteine residues in proteins.
Other Notes
For the chemical modification of thiol groups in proteins (specific for cysteine at pH 8.5) 1; Alkylates methionine 2
Sigma Aldrich - 00652 external link
Application
Reagent for the modification of cysteine residues in proteins.
MP Biomedicals - 02151347 external link
Free Acid
Purity: ~99%
White to light yellow crystals.
S-protecting reagent.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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