2-Methyl-5-vinylpyridine

HCID 8817CAS 140-76-1

Grundinformationen

Standard-SMILES
C=Cc1ccc(C)nc1
InChIKey
VJOWMORERYNYON-UHFFFAOYSA-N
Summenformel
C8H9N
Durchschnittliche Molmasse
119,16 g/mol
Monoisotopische Masse
119,07349929

Überblick

Pyridine, 2-methyl-5-vinyl- is a clear to faintly opalescent liquid. Used as a monomer for resins, as an oil additive, ore flotation agent; and dye acceptor. (EPA, 1998)

Namen und Bezeichner

Bevorzugter Name
2-Methyl-5-vinylpyridine
IUPAC
5-ethenyl-2-methylpyridine
Lokaler Name
5-Ethenyl-2-methylpyridin
Englischer Name
2-Methyl-5-vinylpyridine
Summenformel
C8H9N
Molmasse
119.16

Namen und Synonyme

2-Methyl-5-vinylpyridine140-76-15-Ethenyl-2-methylpyridinePyridine, 5-ethenyl-2-methyl-2-Picoline, 5-vinyl-Pyridine, 2-methyl-5-vinyl-5-Vinyl-2-picoline34ET764YF8PYRIDINE, 2-METHYL-5-VINYLDTXSID2059699RefChem:870633DTXCID7034545
Weitere Namen anzeigen
-5-vinyL2-Methyl-5-vinylpyri5-Vinyl-ALPHA-picoline2-Methyl-5-vinylpridine2,5-Methylvinylpyridine5-Ethenyl-2-methypyridine
205-432-52-Methyl-5-vinyl-pyridineMFCD016917322-methyl-5-vinyl pyridine2-MVPHSDB 6325EINECS 205-432-5BRN 0106229

Datenbank-Bezeichner

CAS
140-76-1、25038-86-2
PubChem CID
8817
DTXSID
DTXSID2059699
UNII
34ET764YF8
EC Number
205-432-5
Nikkaji
J38.338D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
12,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Pyridines

Flammable agents - 2nd degree

SpringerMaterials PropertiesBoiling point
Density · 3 Einträge

0.978 to 0.982 at 68 °F (EPA, 1998)

0.978-0.982 @ 20 °C/20 °C

0.98 @ 20°C

Color/FormClear to faintly opalescent liquid
Flash Point · 2 Einträge

165 °F (EPA, 1998)

73.9 °C (Open cup)

Boiling Point · 3 Einträge

358 °F at 760 mmHg (EPA, 1998)

181 °C

181 °C @760 [mm Hg]

Physikochemische Eigenschaften

Schmelzpunkt
-12 °C · -12.0 °C
Siedepunkt
212.46 °C · 212.46°C (rough estimate)
Dichte
1 · 1.0000 (rough estimate)
Brechungsindex
1.533 · 1.5330 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
5.58 · 5.58±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (12.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 16 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards · 1 Eintrag

When heated to decomposition, it emits toxic fumes of nitrogen oxides. (Non-Specific -- Combustible Liquid, n.o.s.) Flammable/combustible material; may be ignited by heat, sparks, or flames. Vapors may travel to a source of ignition and flash back. Container may explode in heat of fire. (EPA, 1998)

Health HazardsThis material is moderately toxic by ingestion, inhalation, and absorption through the skin. (EPA, 1998)
Hazards SummaryCauses irritation and CNS depression in animal experiments; A moderate skin irritant; A moderate to severe eye irritant; [HSDB] Can polymerize exothermically; [CAMEO] See Pyridine.
Reactive GroupAmines, Phosphines, and Pyridines

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

(Non-Specific -- Combustible Liquid, n.o.s.) Wear self-contained (positive pressure if available) breathing apparatus and full protective clothing. Isolate for 1/2 mile in all directions if tank car or truck is involved in fire. Move container from fire area if you can do so without risk. Spray cooling water on containers that are exposed to flames until well after fire is out. For massive fire in cargo area, use unmanned hose holder or monitor nozzles; if this is impossible, withdraw from area and let fire burn. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tank due to fire.

First AidWarning: Pyridine, 2-methyl-5-vinyl- is toxic by ingestion, inhalation, and dermal exposure.
Nonfire Spill Response · 1 Eintrag

(Non-Specific -- Combustible Liquid, n.o.s.) Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Shut off ignition sources; no flares, smoking, or flames in hazard area. Stop leak if you can do so without risk. Use water spray to reduce vapors. Absorb spills with sand or noncombustible absorbent material. For large spills dike far ahead. (EPA, 1998)

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 2 Einträge

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a structure estimation method(2), indicates that 2-methyl-5-vinylpyridine is expected to have moderate mobility in soil(SRC). 2-Methyl-5-vinylpyridine has a pKa of 5.67(5), which indicates that this compound will partially exist in the protonated form in moist acidic soils, and cations adsorb more strongly to soils than neutral molecules. Therefore, the mobility of 2-methyl-5-vinylpyridine is expected to be much lower in acidic soils than in neutral or alkaline soil(SRC). Volatilization of the neutral species of 2-methyl-5-vinylpyridine from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.4X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, the protonated form will not volatilize(SRC). The potential for volatilization of 2-methyl-5-vinylpyridine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 1.18 mm Hg(4). Biodegradation data were not located for 2-methyl-5-vinylpyridine; however a structurally-similar compound, 2-methyl-5-ethylpyridine was not biodegraded during a 28-day chemostat experiment(6) indicating that this compound may also be resistant to biodegradation in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a structure estimation method(2), indicates that 2-methyl-5-vinylpyridine is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 4.4X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 9 and 71 days, respectively(SRC). The pKa of 2-methyl-5-vinylpyridine is 5.67(8), indicating this compound will partially exist in the ionized form in acidic waters and cations do not volatilize(SRC). According to a classification scheme(5), an estimated BCF of 11(SRC), from an estimated log Kow of 2.25(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not located for 2-methyl-5-vinylpyridine; however a structurally-similar compound, 2-methyl-5-ethylpyridine, was not biodegraded during a 28-day chemostat experiment(9) indicating that this compound may also be resistant to biodegradation in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-methyl-5-vinylpyridine, which has a vapor pressure of 1.18 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase 2-methyl-5-vinylpyridine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 14 hours(SRC), calculated from its rate constant of 2.7X10-11 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Vapor-phase 2-methyl-5-vinylpyridine is also degraded in the atmosphere by reaction with ozone(SRC); the half-life for this reaction in air is estimated to be 13 hours(SRC), calculated from its rate constant of 2.1X10-17 cu cm/molecule-sec at 25 °C(SRC), determined using a structure estimation method(3).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-methyl-5-vinylpyridine can be estimated to be 170(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-methyl-5-vinylpyridine is expected to have moderate mobility in soil. The pKa of 2-methyl-5-vinylpyridine is 5.67(3), which indicates that this compound will partially exist in the protonated form under acidic conditions. Cations adsorb more strongly to soil surfaces than neutral molecules thus adsorption of 2-methyl-5-vinylpyridine is expected to be greater in acidic soils(SRC).

Human Toxicity ExcerptsExposures to the picolines may give rise to flushing of the face, skin rash, an increase in heart and respiration rates, headache, giddiness, nausea and vomiting. /Picolines/
Artificial Pollution Sources2-Methyl-5-vinylpyridine's production and use as a monomer for resins, oil additive, ore flotation agent and dye acceptor(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1 Eintrag

AEROBIC: No data were located for 2-methyl-5-vinylpyridine although a chemostat experiment for a structurally-similar compound suggests that 2-methyl-5-vinylpyridine may be resistant to biodegradation. 2-Methyl-5-ethylpyridine was not biodegraded over a 28-day chemostate experiment using groundwater; 2-methyl-5-ethylpyridine was present initially at 5276 ug/l with a dilution rate of 0.067 per day)(1). The effluent concentration was 5075 ug/l(1). biodegradation, as measured by BOD, were reported for 2-vinyl- and 4-vinylpyridine (initially present at 100 mg/l) in the 4-week Japanese MITI test(1).

Regulatorische Informationen

CERCLA Reportable Quantities · 1 Eintrag

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Pyridine, 2-methyl-5-vinyl is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 lbs.

Sicherheitsdaten

tsca
TSCA listed
ridadr
2810
hs_code
2933499090
Toxizität
LD50 oral in rat: 1300uL/kg
hazard_class
6.1(b)
packing_group
III

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and Excretion · 1 Eintrag

PYRIDINE & ITS ALKYL DERIVATIVES ARE ABSORBED FROM GI TRACT, INTRAPERITONEAL CAVITY & LUNGS. PERITONEAL ABSORPTION IS APPARENTLY ONLY SLIGHTLY MORE RAPID & COMPLETE THAN GI ABSORPTION ... IN GENERAL THE BASES ARE RAPIDLY ABSORBED THROUGH INTACT SKIN. /ALKYL DERIVATIVES OF PYRIDINE/

Verwendung und Herstellung

Uses · 5 Einträge

Used as monomer for resins, oil additive, ore flotation agent, dye acceptor, and flocculating agent; [HSDB]

Metal Extraction and Refining [Category: Industry]

Monomer for resins; oil additive; ore flotation agent; dye acceptor

As a decolorizing ion exchange resin.

As a flocculating agent.

Methods of ManufacturingVinylpyridines are produced by the condensation of formaldehyde with methylpyridines.
General Manufacturing Information · 2 Einträge

Pyridine, 5-ethenyl-2-methyl-: ACTIVE

The polymer of 2-methyl-5-vinylpyridine was formerly used as a coating material for medicine tablets; today, it is not used at all.

Anwendungen

VerwendenMonomer for resins, oil additive, ore flotationagent, dye acceptor.

Anbieter50 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]

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