(2-Nitroethyl)benzene - CAS 6125-24-2
Catalog: |
BB031018 |
Product Name: |
(2-Nitroethyl)benzene |
CAS: |
6125-24-2 |
Synonyms: |
2-nitroethylbenzene; 2-nitroethylbenzene |
IUPAC Name: | 2-nitroethylbenzene |
Description: | (2-Nitroethyl)benzene (CAS# 6125-24-2) is a useful research chemical compound. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)CC[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | XAWCLWKTUKMCMO-UHFFFAOYSA-N |
Boiling Point: | 260.5 °C at 760 mmHg |
Density: | 1.119 g/cm3 |
MDL: | MFCD00210449 |
LogP: | 2.02900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961093-A | Method for reducing C = C double bond of nitroolefin with high selectivity | 20210222 |
CN-112645826-A | Preparation method of ethynylaniline | 20201221 |
CN-111302962-A | Rapid method for reducing nitro in aliphatic nitro compound into amino | 20200319 |
EP-3879265-A1 | Method for simultaneously determining nitrogen and oxygen isotopic composition of natural nitrate and nitrogen and oxygen isotopic composition of natural nitrite | 20191206 |
WO-2021109336-A1 | Method for simultaneously determining nitrogen and oxygen isotopic composition of natural nitrate and nitrogen and oxygen isotopic composition of natural nitrite | 20191206 |
PMID | Publication Date | Title | Journal |
22998013 | 20121024 | Impact of different distribution scenarios and recommended storage conditions on flavor related quality attributes in ripening fresh tomatoes | Journal of agricultural and food chemistry |
21077945 | 20111201 | Cardiovascular effects of 1-nitro-2-phenylethane, the main constituent of the essential oil of Aniba canelilla, in spontaneously hypertensive rats | Fundamental & clinical pharmacology |
21589437 | 20101113 | trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none | Acta crystallographica. Section E, Structure reports online |
20406629 | 20100725 | 1-Nitro-2-phenylethane, the main constituent of the essential oil of Aniba canelilla, elicits a vago-vagal bradycardiac and depressor reflex in normotensive rats | European journal of pharmacology |
21235188 | 20100101 | Experimental study of photooxidation products of ethylbenzene | Journal of environmental sciences (China) |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS