trans-4-Nitrocinnamoyl chloride - CAS 61921-33-3
Catalog: |
BB031327 |
Product Name: |
trans-4-Nitrocinnamoyl chloride |
CAS: |
61921-33-3 |
Synonyms: |
(E)-3-(4-nitrophenyl)prop-2-enoyl chloride |
IUPAC Name: | (E)-3-(4-nitrophenyl)prop-2-enoyl chloride |
Description: | trans-4-Nitrocinnamoyl chloride (CAS# 61921-33-3 ) is a useful research chemical. |
Molecular Weight: | 211.60 |
Molecular Formula: | C9H6ClNO3 |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6ClNO3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-6H/b6-3+ |
InChI Key: | RUPXNPWALFDXJD-ZZXKWVIFSA-N |
Boiling Point: | 319.6 °C at 760 mmHg |
Melting Point: | 150-153 °C(lit.) |
Purity: | 95 % |
Density: | 1.403 g/cm3 |
MDL: | MFCD00082549 |
LogP: | 2.89660 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2020066619-A | Compounds for boron neutron capture therapy for amyloid β disease | 20180404 |
US-2017240503-A1 | N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof | 20140820 |
US-9878977-B2 | N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof | 20140820 |
WO-2016027282-A1 | N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof | 20140820 |
EP-3115420-A1 | Cyanine coloring composition | 20140307 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 211.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0036207 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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