Description

Beta-Nitrostyrene (CAS No. 102-96-5) is a high-purity organic compound with the molecular formula C₈H₇NO₂, widely utilized in synthetic chemistry and pharmaceutical research. This yellow crystalline solid is a valuable intermediate for the synthesis of fine chemicals, pharmaceuticals, and agrochemicals due to its nitrovinyl functional group. Its trans-configuration (E-isomer) ensures consistent reactivity, making it ideal for Michael additions, cycloadditions, and other nucleophilic reactions. Our Beta-Nitrostyrene is rigorously tested for purity (≥99% by HPLC) and stability, packaged under inert conditions to prevent degradation. Suitable for lab-scale and industrial applications, it is available in customizable quantities with MSDS and analytical certificates.

Properties

• CAS Number: 102-96-5
• Complexity: 154
• IUPAC Name: [(E)-2-nitrovinyl]benzene
• InChI: InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
• InChI Key: PIAOLBVUVDXHHL-VOTSOKGWSA-N
• LogP: log Kow = 2.11
• Exact Mass: 149.047678466
• Molecular Formula: C8H7NO2
• Molecular Weight: 149.15
• SMILES: C1=CC=C(C=C1)/C=C/[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 149.047678466
• Physical Description: Beta-nitrostyrene appears as yellow prisms or yellow crystalline solid.
• Color/Form: Yellow prisms /trans-isomer/
• Boiling Point: 482 to 500 °F at 760 mmHg
• Melting Point: 136 °F
• Solubility: less than 1 mg/mL at 73 °F
• Density: 1.1552 at 90 °F – Denser than water; will sink
• Vapor Pressure: 0.01 [mmHg]
• Synonyms: trans-beta-Nitrostyrene, 5153-67-3, 102-96-5, BETA-NITROSTYRENE, 1-Phenyl-2-nitroethene, Benzene, (2-nitroethenyl)-, 2-Nitro-1-phenylethylene, (2-nitroethenyl)benzene, beta-Nitrosytrene, Styrene, .beta.-nitro-, .beta.-Nitrostyrene, 1-Nitro-2-phenylethylene, NCI-C02211, NSC 9809, CCRIS 482, Styrene, beta-nitro-, (E)-(2-Nitroethenyl)benzene, trans-.beta.-Nitrostyrene, omega-Nitrostyrene, EINECS 203-066-0, BRN 1210066, BRN 2042432, 5287E3OUAV, Styrene, beta-nitro-, (E)-, AI3-16827, HSDB 8046, NSC-9809, NITROSTYRENE, BETA, Benzene, (2-nitroethenyl)-, (E)-, NITROSTYRENE, BETA-, NITROSTYRENE, .BETA., 2-PHENYL-1-NITROETHENE, DTXCID3028130, DTXSID0025789, NITROSTYRENE, TRANS-BETA-, 3-05-00-01180 (Beilstein Handbook Reference), 4-05-00-01352 (Beilstein Handbook Reference), .BETA.-NITROSTYRENE, (E)-, (E)-1-NITRO-2-PHENYLETHYLENE, [(1E)-2-NITROETHENYL]BENZENE, ((1E)-2-nitroethenyl)benzene, nitrostyrol, (2-Nitroethenyl)-Benzene, Styrene, betanitro, 1Phenyl2nitroethene, (E)betaNitrostyrene, (2Nitrovinyl)benzene, 2Nitro1phenylethylene, GAMMA-NITROSTYRENE, Benzene, (2nitroethenyl), Styrene, betanitro, (E), (E)(2Nitroethenyl)benzene, BETA-NITROPHENYLETHYLENE, 1-NITRO-2-PHENYLETHENE, Benzene, (2nitroethenyl), (E), BETA-NITROSTYRENE, (E)-, Benzene, (2nitroethenyl), (E) (9CI), Benzene, (2-nitroethenyl)-, (E)-(9CI), 203-066-0, 629-597-1, (2-Nitrovinyl)benzene, (E)-(2-Nitrovinyl)benzene, (E)-2-Nitroethenylbenzene, [(E)-2-Nitroethenyl]benzene, (E)-beta-Nitrostyrene, trans-b-Nitrostyrene, .omega.-Nitrostyrene, trans-1-Nitro-2-phenylethylene, Trans Beta Nitrostyrene, 1-(2-nitrovinyl)benzene, DTXSID6033247, [(E)-2-nitrovinyl]benzene, Nitrostyrene, ((1E)-2-nitrovinyl)benzene, (trans)-beta-Nitrostyrene, MFCD00007402, trans-|A-Nitrostyrene, Benzene, [(1E)-2-nitroethenyl]-, UNII-5287E3OUAV, trans-nitrostyrene, trans-4-(2-Nitroethenyl)benzene, I(2)-Nitrostyrol, .beta.-Nitrosytrene, Styrene, beta-nitro, (E)-b-Nitrostyrene, 2-nitroethenylbenzene, .gamma.-Nitrostyrene, trans-?-Nitrostyrene, trans-ss-Nitrostyrene, trans beta-nitrostyrene, trans- beta -Nitrostyrene, WLN: WN1U1R, SCHEMBL30590, (E)-(2-nitrovinyl)-benzene, SCHEMBL131221, trans-beta-Nitrostyrene, 99%, ((E)-2-nitro-vinyl)-benzene, 1-((E)-2-nitrovinyl)benzene, CHEMBL230156, DTXCID901285, SCHEMBL8670707, NSC9809, Styrene, .beta.-nitro-, (E)-, BCP12490, Tox21_200772, Tox21_300677, BDBM50504465, SBB056972, 1-[(E)-2-nitro-1-ethenyl]benzene, AKOS005207248, AKOS017269762, DS-2755, FN09067, FN45637, NCGC00091093-01, NCGC00091093-02, NCGC00091093-03, NCGC00091093-04, NCGC00254585-01, NCGC00258326-01, BP-10983, CAS-102-96-5, LS-13407, CAS-5153-67-3, CS-0031474, N0941, NS00023194, ST50990728, EN300-55518, D72576, EN300-342539, AF-961/00496050, Q15633930, NS8

Beta-Nitrostyrene serves as a versatile building block in organic synthesis, particularly in the preparation of nitroalkenes and heterocyclic compounds. Researchers use it in Michael reactions to create C-C bonds or as a precursor for pharmaceuticals like vasodilators and antimicrobial agents. Its conjugated system also makes it useful in material science for designing light-sensitive polymers. In agrochemical R&D, it aids in synthesizing nitrophenyl derivatives for crop protection formulations.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (95%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.