3',5'-Dinitroacetophenone - CAS 14401-75-3
Catalog: |
BB009708 |
Product Name: |
3',5'-Dinitroacetophenone |
CAS: |
14401-75-3 |
Synonyms: |
1-(3,5-dinitrophenyl)ethanone |
IUPAC Name: | 1-(3,5-dinitrophenyl)ethanone |
Description: | 3',5'-Dinitroacetophenone (CAS# 14401-75-3) is a useful research chemical compound. |
Molecular Weight: | 210.14 |
Molecular Formula: | C8H6N2O5 |
Canonical SMILES: | CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3 |
InChI Key: | WGJQPJOLPLYFJH-UHFFFAOYSA-N |
Boiling Point: | 267.3 ℃ at 760 mmHg |
Melting Point: | 81-85 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.452 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00631987 |
LogP: | 2.75200 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-107964030-A | A kind of synthetic method of morphine derivatives and application | 20171107 |
WO-2017203459-A1 | Process for preparation of eribulin and intermediates thereof | 20160526 |
US-2017162795-A1 | Noncrystallizable sensitized layers for oled and oeds | 20140202 |
JP-2014091691-A | Process for producing trifluoromethyl group-containing compound | 20121102 |
JP-5991899-B2 | Process for producing trifluoromethyl group-containing compound | 20121102 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.02767130 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.02767130 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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