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Cas Database

Name	β-NITROSTYRENE	EINECS	203-066-0
CAS No.	102-96-5	Density	1.177g/cm³
PSA	45.82000	LogP	2.45720
Solubility	N/A	Melting Point	55-58 °C(lit.)
Formula	C8H7 N O2	Boiling Point	250-260 °C(lit.)
Molecular Weight	149.149	Flash Point	117.5°C
Transport Information	N/A	Appearance	yellow crystals
Safety	Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x.	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols
Synonyms	Styrene, b-nitro- (8CI);(2-Nitroethenyl)benzene; (2-Nitrovinyl)benzene; 1-Nitro-2-phenylethene;1-Nitro-2-phenylethylene; 1-Phenyl-2-nitroethene; 2-Nitro-1-phenylethylene;2-Phenyl-1-nitroethene; NSC 9809; b-Nitrostyrene; w-Nitrostyrene	Article Data	192

β-NITROSTYRENE Synthetic route

: 75-52-5
nitromethane

: 100-52-7
benzaldehyde

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With 3-(diethylamino)propyltrimethoxysilane supported on silica-alumina at 100℃; for 6h;	99%
With mesoporous hybrid catalyst HYB-75P-25B at 373℃; for 14h; Henry reaction; Inert atmosphere;	98%
With basic groups-derivatized mesoporous silica-enveloped Fe3O4 nanoparticles Henry Nitro Aldol Condensation;	98%

: 75-52-5
nitromethane

: 1125-88-8
benzaldehyde dimethyl acetal

A: 102-96-5
(2-nitroethenyl)benzene

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With benzenesulfonic acid and amine group containing periodic mesoporous organosilica at 90℃; for 20h;	A 97.5% B 2.5%
With DMAN-SO3H-SiO2-5-5 In water at 89.84℃; for 24h; Catalytic behavior; Time; Henry Nitro Aldol Condensation;	A 92% B 8%
With grDMAN-SO3H-SiO2-5 In water at 89.84℃; for 15h; Catalytic behavior; Time; Henry Nitro Aldol Condensation;	A 15% B 85%

: 75-52-5
nitromethane

: 1125-88-8
benzaldehyde dimethyl acetal

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With porous aromatic framework PAF-1-NHCH2CH2NH2-SO3H at 90℃; for 24h; Inert atmosphere;	97.2%
With acidic-basic groups-derivatized mesoporous silica-enveloped Fe3O4 nanoparticles In water at 90℃; for 5h;	96%
With water at 90℃; for 5h; Inert atmosphere;	95 %Chromat.

: 140-10-3
(E)-3-phenylacrylic acid

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With copper(II) nitrate In acetonitrile at 85℃; for 5h; Inert atmosphere;	97%
With diethyl ether; mixture of gaseous nitrogen oxides
With sodium nitrite

: potassium styryltrifluoroborate

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With sodium dihydrogen phosphate monohydrate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); sodium nitrite In toluene at 120℃; for 0.5h; Temperature; Reagent/catalyst; Solvent; Microwave irradiation; Inert atmosphere;	92%

: 141377-54-0, 145920-96-3, 149495-00-1, 15990-45-1
2-nitro-1-phenylethan-1-ol

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With N-heterocyclic carbenes modified magnesium nanoparticles In tetrahydrofuran at 60℃; for 20h; Reagent/catalyst; Temperature; Molecular sieve;	85%

: 621-82-9
Cinnamic acid

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With tert.-butylnitrite; silica gel In acetonitrile at 100℃; under 2250.23 Torr; Time; Temperature; Pressure; Solvent; Microwave irradiation;	85%
With Vilsmeier reagent; potassium nitrate In acetonitrile at 20℃; Reagent/catalyst; Temperature; Sonication;	82%
With nitric acid In acetonitrile for 0.025h; Solvent; Microwave irradiation;	78%
With trichloroisocyanuric acid; N,N-dimethyl-formamide; sodium nitrite for 8h; Reflux;	72%
Multi-step reaction with 2 steps 1: lime/chalk/ 2: nitric acid View Scheme

: 292638-84-7
styrene

: 102-96-5
(2-nitroethenyl)benzene

Conditions

Conditions	Yield
With iodine; sodium nitrite In water; ethylene glycol; ethyl acetate for 48h; Ambient temperature;	81%
With silver nitrate; acetyl chloride In acetonitrile at 0 - 65℃; for 1h;	55%
With tert.-butylnitrite In dimethyl sulfoxide at 80℃; for 24h; Inert atmosphere;	26%

: 17356-08-0
thiourea

A: 102-96-5
(2-nitroethenyl)benzene

B: 1071-86-9, 19040-64-3, 50606-57-0
bis(formamidine)disulphide dihydrobromide

Conditions

Conditions	Yield
With (1,2-dibromo-2-nitroethyl)benzene In acetone	A n/a B 81%

: 292638-84-7
styrene

A: 102-96-5
(2-nitroethenyl)benzene

B: 21205-24-3
2-nitro-1-phenylethan-1-one oxime

Conditions

Conditions	Yield
With tert.-butylnitrite; water In dimethyl sulfoxide at 50℃; for 1.5h;	A 6% B 81%

β-NITROSTYRENE Chemical Properties

IUPAC Name: 1-Nitro-2-phenylethylene
The MF of 1-Nitro-2-phenylethylene (102-96-5) is C₈H₇NO₂.

The MW of 1-Nitro-2-phenylethylene (102-96-5) is 149.15.
Synonyms of 1-Nitro-2-phenylethylene (102-96-5): (2-Nitroethenyl)benzene ; trans-beta-Nitrostyrene ; .beta.-Nitrostyrene ; beta-nitrostyrene ; Styrene and beta-nitrostyrene mixture ; Styrene, .beta.-nitro- ; Styrene, .beta.-nitro-, (E)-
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. May be sensitive to prolonged exposure to air
Form: Yellow prisms (from ethanol) or yellow crystalline solid
Index of Refraction: 1.603
EINECS: 203-066-0
Density: 1.177 g/ml
Flash Point: 117.5 °C
Boiling Point: 255.8 °C
Melting Point: 55-58 °C
Storage temp: 2-8 °C

β-NITROSTYRENE Toxicity Data With Reference

orl-mus LDLo:710 mg/kg

AECTCV Archives of Environmental Contamination and Toxicology. 14 (1985),111.

β-NITROSTYRENE Consensus Reports

Reported in EPA TSCA Inventory.

β-NITROSTYRENE Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x.Safety information of 1-Nitro-2-phenylethylene (102-96-5):
Hazard Codes Xi
Risk Statements
36/37/38 Irritating to eyes, respiratory system and skin
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36 Wear suitable protective clothing
WGK Germany 3
RTECS WL5460000

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