trans-^b-Nitrostyrene (5153-67-3)

The 1-(2-Nitrovinyl)benzene with the cas number 5153-67-3, is also called trans-beta-Nitrostyrene. The systematic name is Benzene, (2-nitroethenyl)-, (E)- (9CI) and IUPAC name is [(E)-2-nitroethenyl]benzene. This chemical is Yellow crystals. Its product categories is Ethanes/ethenes.

Properties Computed from Structure: (1)Molecular Weight: 149.14668 [g/mol]; (2)Molecular Formula: C₈H₇NO₂; (3)XLogP3 2.1 ; (4)H-Bond Donor: 0; (5)H-Bond Acceptor: 2; (6)Rotatable Bond Count: 1; (7)Tautomer Count: 2; (8)Exact Mass: 149.047678; (9)MonoIsotopic Mass: 149.047678; (10)Topological Polar Surface Area: 45.8; (11)Heavy Atom Count: 11; (12)Formal Charge: 0; (13)Complexity: 154; (14)Isotope Atom Count: 0; (15)Defined Atom StereoCenter Count: 0; (16)Undefined Atom StereoCenter Count: 0; (17)Defined Bond StereoCenter Count: 1; (18)Undefined Bond StereoCenter Count: 0; (19)Covalently-Bonded Unit Count: 1.

Uses: This chemical can react with benzene-1,2-diamine, to product 2-phenyl-1H-benzoimidazole. This reaction needs solvent ethanol at heating condition. The reaction time is 3.0 hours. The yield is 40%.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [N+](\C=C\c1ccccc1)([O-])=O
(2)InChI: InChI=1/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
(3)InChIKey: PIAOLBVUVDXHHL-VOTSOKGWSA-N

The toxicity data is as follows: