4-tert-Butyl-2-nitrophenol - CAS 3279-07-0
Catalog: |
BB021412 |
Product Name: |
4-tert-Butyl-2-nitrophenol |
CAS: |
3279-07-0 |
Synonyms: |
4-tert-butyl-2-nitrophenol |
IUPAC Name: | 4-tert-butyl-2-nitrophenol |
Description: | 4-tert-Butyl-2-nitrophenol (CAS# 3279-07-0) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C10H13NO3 |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
InChI: | InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3 |
InChI Key: | IHGNADPMUSNTJW-UHFFFAOYSA-N |
Boiling Point: | 203 ℃ |
Purity: | 99 % |
Density: | 1.12 g/cm3 |
Appearance: | Yellow crystals or light yellow oily liquid |
MDL: | MFCD00191888 |
LogP: | 3.12110 |
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: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.08954328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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