3-Iodobenzyl bromide - CAS 49617-83-6
Catalog: |
BB026757 |
Product Name: |
3-Iodobenzyl bromide |
CAS: |
49617-83-6 |
Synonyms: |
1-(bromomethyl)-3-iodobenzene |
IUPAC Name: | 1-(bromomethyl)-3-iodobenzene |
Description: | 3-Iodobenzyl bromide (CAS# 49617-83-6) is a reagant used in the investigation of thyreostats in bovine urine and thyroid glands. |
Molecular Weight: | 296.93 |
Molecular Formula: | C7H6BrI |
Canonical SMILES: | C1=CC(=CC(=C1)I)CBr |
InChI: | InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
InChI Key: | BACZSVQZBSCWIG-UHFFFAOYSA-N |
Boiling Point: | 106 ℃ / 1 mmHg |
Melting Point: | 47-50 ℃ |
Purity: | 95 % |
Density: | 2.105 g/cm3 |
Appearance: | Pale orange to red or brown crystalline powder |
Storage: | Refrigerator |
MDL: | MFCD00019016 |
LogP: | 3.18610 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110534658-A | Organic electroluminescence device and electronic device | 20190823 |
WO-2020228649-A1 | Substituted phenylpropenylpyridine derivative, and preparation method therefor and medical use thereof | 20190510 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
WO-2020157463-A1 | Disulphide compounds | 20190130 |
TW-202043192-A | Disulphide compounds | 20190130 |
PMID | Publication Date | Title | Journal |
21742128 | 20110826 | Liquid chromatography tandem mass spectrometry with ion trap and triple quadrupole analyzers for determination of thyreostatic drugs in urine and muscle tissue | Analytica chimica acta |
19406410 | 20091113 | Determination of thyreostats in urine and thyroid gland by ultra high performance liquid chromatography tandem mass spectrometry | Journal of chromatography. A |
16982518 | 20061001 | Evidence that urinary excretion of thiouracil in adult bovine submitted to a cruciferous diet can give erroneous indications of the possible illegal use of thyrostats in meat production | Food additives and contaminants |
16106705 | 20050902 | Multi-residue method for the determination of thyreostats in urine samples using liquid chromatography coupled to tandem mass spectrometry after derivatisation with 3-iodobenzylbromide | Journal of chromatography. A |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.86976 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.86976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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