2-Chloro-5-nitrobenzyl alcohol - CAS 80866-80-4
Catalog: |
BB036565 |
Product Name: |
2-Chloro-5-nitrobenzyl alcohol |
CAS: |
80866-80-4 |
Synonyms: |
(2-chloro-5-nitrophenyl)methanol |
IUPAC Name: | (2-chloro-5-nitrophenyl)methanol |
Description: | 2-Chloro-5-nitrobenzyl alcohol (CAS# 80866-80-4) is a useful reagent for aerobic catalytic reactions. |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl |
InChI: | InChI=1S/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2 |
InChI Key: | NNLQYDLTFRXAKD-UHFFFAOYSA-N |
Boiling Point: | 344.1 °C at 760 mmHg |
Density: | 1.476 g/cm3 |
Appearance: | Powder |
LogP: | 2.26370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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