2-Nitrobenzyl alcohol - CAS 612-25-9
Catalog: |
BB031010 |
Product Name: |
2-Nitrobenzyl alcohol |
CAS: |
612-25-9 |
Synonyms: |
Benzenemethanol, 2-nitro-; 2-Nitrobenzenemethanol; Benzyl alcohol, o-nitro-; NSC 66512; o-(Hydroxymethyl)nitrobenzene; o-Nitrobenzyl alcohol |
Related CAS: | 185533-00-0 (Deleted CAS)
|
IUPAC Name: | (2-nitrophenyl)methanol |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | C1=CC=C(C(=C1)CO)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2 |
InChI Key: | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
Boiling Point: | 270°C |
Melting Point: | 74°C |
Purity: | ≥95% |
Density: | 1.330±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Light Yellow Crystal Powder |
Storage: | Store at RT |
MDL: | MFCD00007186 |
LogP: | 1.61030 |
Vapor Pressure: | 0.0000858 [mmHg] |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480465-A | Preparation method of 1- (2-nitrobenzyl) pyrrole-2-formaldehyde | 20210814 |
CN-113354608-A | Photoactivation fluorescent probe and preparation method and application thereof | 20210610 |
CN-113082083-A | Easily-torn traditional Chinese medicine ointment patch for allergic dermatitis and preparation method thereof | 20210426 |
CN-113121448-A | Cinnoline compound and preparation method thereof | 20210409 |
CN-113087628-A | Preparation method of o-nitrobenzaldehyde | 20210401 |
PMID | Publication Date | Title | Journal |
22231919 | 20120213 | Stereochemistry of benzylic carbon substitution coupled with ring modification of 2-nitrobenzyl groups as key determinants for fast-cleaving reversible terminators | Angewandte Chemie (International ed. in English) |
21629914 | 20110714 | Debundling, selection and release of SWNTs using fluorene-based photocleavable polymers | Chemical communications (Cambridge, England) |
21359342 | 20110407 | Light-triggered covalent assembly of gold nanoparticles in aqueous solution | Chemical communications (Cambridge, England) |
21127482 | 20101201 | Synthesis of photodegradable hydrogels as dynamically tunable cell culture platforms | Nature protocols |
21577790 | 20090905 | 2-Nitro-benzyl 2-chloro-acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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