3-Nitrobenzyl bromide - CAS 3958-57-4
Catalog: |
BB024044 |
Product Name: |
3-Nitrobenzyl bromide |
CAS: |
3958-57-4 |
Synonyms: |
1-(bromomethyl)-3-nitrobenzene |
IUPAC Name: | 1-(bromomethyl)-3-nitrobenzene |
Description: | 3-Nitrobenzyl bromide (CAS# 3958-57-4) is a compound useful in organic synthesis. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CBr |
InChI: | InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 |
InChI Key: | LNWXALCHPJANMJ-UHFFFAOYSA-N |
Boiling Point: | 153-154 °C (7 mmHg) |
Purity: | 98 % |
Density: | 1.652 g/cm3 |
Appearance: | Pale yellow crystalline solid |
MDL: | MFCD00007271 |
LogP: | 3.01290 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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