4,5-Dimethoxy-2-nitrobenzyl bromide - CAS 53413-67-5
Catalog: |
BB028208 |
Product Name: |
4,5-Dimethoxy-2-nitrobenzyl bromide |
CAS: |
53413-67-5 |
Synonyms: |
1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene |
IUPAC Name: | 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene |
Description: | 4,5-Dimethoxy-2-nitrobenzyl bromide (CAS# 53413-67-5) is a useful research chemical. |
Molecular Weight: | 276.08 |
Molecular Formula: | C9H10BrNO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC |
InChI: | InChI=1S/C9H10BrNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3 |
InChI Key: | UEKFEYNZISYRRH-UHFFFAOYSA-N |
Boiling Point: | 372.3 °C at 760 mmHg |
Melting Point: | 131-133 °C (lit.) |
Purity: | 95 % |
Density: | 1.544 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD00192064 |
LogP: | 3.03010 |
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-110066861-A | A kind of patterning microarray flow cell, production method, detection method and its application | 20190505 |
US-2021276931-A1 | Energetic Feedstock for Additive Manufacturing | 20181127 |
WO-2019152267-A1 | Photolabile beta-dicarbonyl compounds | 20180131 |
CN-111683974-A | Photolabile beta-dicarbonyl compounds | 20180131 |
EP-3746490-A1 | Photolabile beta-dicarbonyl compounds | 20180131 |
PMID | Publication Date | Title | Journal |
17195251 | 20070122 | Reversible inactivation of the CG specific SssI DNA (cytosine-C5)-methyltransferase with a photocleavable protecting group | Chembiochem : a European journal of chemical biology |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.97932 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.97932 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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