2,5-Dibromonitrobenzene - CAS 3460-18-2
Catalog: |
BB022201 |
Product Name: |
2,5-Dibromonitrobenzene |
CAS: |
3460-18-2 |
Synonyms: |
1,4-dibromo-2-nitrobenzene |
IUPAC Name: | 1,4-dibromo-2-nitrobenzene |
Description: | 2,5-Dibromonitrobenzene (CAS# 3460-18-2) is a halogen-substituted nitrobenzenes used against Tetrahymena pyriformis due to its inhibitory and toxicity activities. |
Molecular Weight: | 280.90 |
Molecular Formula: | C6H3Br2NO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)[N+](=O)[O-])Br |
InChI: | InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H |
InChI Key: | WRGKKASJBOREMB-UHFFFAOYSA-N |
Boiling Point: | 266.4 °C at 760 mmHg |
Melting Point: | 81-85 °C |
Purity: | 97 % |
Density: | 2.374 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007046 |
LogP: | 3.64300 |
GHS Hazard Statement: | H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
12573317 | 20030201 | Synthesis of N,N-dimethyl-2-(2-amino-4-[18F]fluorophenylthio)benzylamine as a serotonin transporter imaging agent | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.85100 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.85305 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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