beta-Bromo-beta-nitrostyrene
Basic information
- CAS
7166-19-0- Standard SMILES
O=[N+]([O-])C(Br)=Cc1ccccc1- InChIKey
SKDNDVDHYMEGNJ-UHFFFAOYSA-N- Molecular formula
- C8H6BrNO2
- Average molar mass
- 228.04 g/mol
- Monoisotopic mass
- 226.95819
Overview
Beta-bromo-beta-nitrostyrene is a yellow powder. (NTP, 1992)
Names & identifiers
- Preferred name
- beta-Bromo-beta-nitrostyrene
- IUPAC
- (2-bromo-2-nitroethenyl)benzene
- English name
- (2-bromo-2-nitrovinyl)benzene
- Molecular formula
- C8H6BrNO2
- Molecular weight
- 228.04
Names & synonyms
BromonitrostyreneSlime-trolGiv-gard7166-19-0BETA-BROMO-BETA-NITROSTYRENEDTXSID3024653Benzene, (2-bromo-2-nitroethenyl)-Styrene, beta-bromo-beta-nitro-4D7Z892MB3RefChem:917043DTXCID60809950230-515-8
Show more names
Slimitrole-BROMO-β-NITROSOSTYRENEβ-Bromo-β-nitrostyreneb-Bromo-b-nitrostyrene.BETA-BROMO-BETA-NITROSOSTYRENE1-Bromo-1-nitro-2-phenylethylene
(2-Bromo-2-nitrovinyl)benzene(2-bromo-2-nitroethenyl)benzenebeta-nitrobromostyreneSCHEMBL205356(2-Bromo-2-nitroethen-1-yl)benzene
Database identifiers
- CAS
7166-19-0- PubChem CID
- 23555
- DTXSID
DTXSID3024653- EC Number
- 230-515-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
Density1.018 at 70.5 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Point130 °F (NTP, 1992)
Melting Point153 to 156 °F (NTP, 1992)
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Beta-bromo-beta-nitrostyrene is a yellow powder. (NTP, 1992)
Yellow solid; [CAMEO]
Physicochemical properties
- Melting point
- 153 ℃ · 153℃ (ethyl acetate )
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Benzene, (2-bromo-2-nitroethenyl)-
Benzene, (2-bromo-2-nitroethenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsThis chemical is combustible. (NTP, 1992)
Hazards Summary
Dose dependent irritation observed in 21-day dermal study of rabbits; No evidence of teratogenicity or developmental toxicity in rats; [Cal/EPA: DPR] Testicular degeneration observed in mice and rats that died early in 4-week oral studies; Significant GI inflammation and necrosis; [NTP] Readily hydrolyzed by water; [CAMEO]
Reactive GroupHalogenated Organic Compounds
Reactivity Profile
A halogenated and nitrated aliphatic hydrocarbon. The unsaturated aliphatic hydrocarbons are generally much more reactive than the alkanes, which are saturated aliphatic hydrocarbons. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen.
Air and Water ReactionsThis compound is sensitive to moisture and prolonged exposure to light. This compound is rapidly hydrolyzed in water. (NTP, 1992). Insoluble in water.
Safety & protection
Chemistry & industry
Uses & manufacturing
Uses
Formerly registered in the US for use as an industrial preservative; [NPIRS] A wide-spectrum biocide; Used as a pesticide, fungicide, and antimicrobial; Also used to prevent slime in pulp and paper mills; [NTP]
Pulp and Paper Processing [Category: Industry]
General Manufacturing InformationBenzene, (2-bromo-2-nitroethenyl)-: INACTIVE
Applications
General DescriptionYellow powder.
Related reactions
2 records
Compound notes
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