2-乙烯吡啶分子量标准品

2-Vinylpyridine

HCID 7521CAS 100-69-6

基本信息

标准SMILES
C=Cc1ccccn1
InChIKey
KGIGUEBEKRSTEW-UHFFFAOYSA-N
分子式
C7H7N
平均分子量
105.14 g/mol
单同位素质量
105.05784922

概述

See also: Vinylpyridines, stabilized (annotation moved to).

名称与标识

首选名称
2-Vinylpyridine
IUPAC
2-ethenylpyridine
中文名
2-乙烯基吡啶
英文名
2-Vinylpyridine
分子式
C7H7N
分子量
105.14

名称与别名

2-VINYLPYRIDINE100-69-62-EthenylpyridinePyridine, 2-ethenyl-Pyridine, 2-vinyl-alpha-VinylpyridineDT4UV4NNKXDTXSID1026667NSC-18255DTXCID406667RefChem:89525202-879-8
展开更多名称
2-丁吡2-乙烯吡啶2-乙烯基吡贝他斯汀杂质2-乙烯基氮苯2-吡啶基乙烯2-乙烯基吡啶乙烯基吡啶单体2- 乙烯基氮苯倍他司汀杂质012VPBetahistine Dihydrochloride Impurity A2-vinyl-pyridin2-Pyridylethylene2-ethenyl-pyridin2-Ethenylpryridine
Pyridine, ethenyl-Vinylpyridine1337-81-12-Vinyl pyridineBetahistine EP Impurity AMFCD00006355.alpha.-VinylpyridineCHEMBL2134875

数据库标识

CAS
100-69-6、1337-81-1、25014-15-7、27476-03-5
PubChem CID
7521
DTXSID
DTXSID1026667
ChEMBL
CHEMBL2134875
UNII
DT4UV4NNKX
EC Number
202-879-8
Nikkaji
J38.336H

性质

结构计算性质

XLogP
1.5
极性表面积
12.9 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
8

实验与物化性质

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesDielectric constant
LogP · 2 条

log Kow= 1.54

1.39

OdorPungent unpleasant odor
Density · 2 条

0.9985 @ 20 °C/0 °C

Relative density (water = 1): 1.00

Viscosity1.17 mPa.s @ 20 °C

物理化学性质

熔点
-50 °C · -50 °C
沸点
79 · 79-82 °C29 mm Hg(lit.)
密度
0.975 g/mL · 0.975 g/mL at 25 °C(lit.)
蒸气压
10 mm · 10 mm Hg ( 44.5 °C)
折射率
20 · n20/D 1.549(lit.)
闪点
116 °F · 116 °F

化学性质

无色液体。 极易溶于乙醇、乙醚、氯仿,溶于苯、丙酮,微溶于水。

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 26.4% (57 of 216) of reports.

Danger

H226 (55.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 216 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危害信息

Regulatory Information · 4 条

Chemical: Pyridine, 2-ethenyl-

Pyridine, 2-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-ethenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13285

2-Vinylpyridine (stabilized with 4-t-butylpyrocatechol): Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 32 °C explosive vapour/air mixtures may be formed. Risk of fire and explosion. See Chemical Dangers.
Fire PotentialFIRE HAZARD IS MODERATE.
Hazards Summary · 1 条

A skin, eye, nose, and mucous membrane irritant; May cause skin burns and sensitization; Emergency treatment: Pyridine; Pyridine is an irritant that causes CNS depression after ingestion of 1/2 cup or inhalation of 6-12 ppm; It can cause liver and kidney injury; [HSDB] May cause delayed burns to skin; A severe eye and respiratory tract irritant; May cause skin sensitization; [ICSC] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; May be absorbed through skin; [Alfa Aesar MSDS] May cause burns; Toxic if swallowed; Harmful if inhaled; May cause allergic skin reactions; [Aldrich MSDS] Vinylpyridines, stabilized (UN3073) has warning of explosive polymerization; [ERG 2016] See Pyridine.

UN ClassificationUN Hazard Class: 6.1; UN Subsidiary Risks: 3 and 8; UN Pack Group: II
Chemical Dangers · 1 条

The substance violently polymerizes. This generates fire or explosion hazard. May decompose explosively on shock, friction or concussion. Decomposes on heating and on burning. This produces toxic fumes of cyanide and nitrogen oxides. Reacts violently with strong oxidants.

安全与防护

Fire FightingUse powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4 条

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageFireproof. Separated from strong oxidants, strong acids and food and feedstuffs. Keep in the dark. Well closed. Store only if stabilized.
Disposal Methods · 1 条

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.

Spillage DisposalCollect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Personal protection: chemical protection suit.
Preventive Measures · 4 条

ALL OPERATIONS INVOLVING HANDLING ... SHOULD BE CONDUCTED IN WELL-VENTILATED CONDITIONS; PROCESS PLANT SHOULD ... BE ENCLOSED & FITTED WITH LOCAL EXHAUST VENTILATION.

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.

ACUTE TOXICITY INFORMATION ON ANIMALS & EXPERIENCE WITH INTERMITTENT EXPOSURES IN MAN SHOW THAT MORE THAN ORDINARY CARE IS NEEDED TO AVOID SKIN CONTACT & INHALATION.

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.

毒理信息

Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 160(SRC), determined from a log Kow of 1.54(2) and a regression-derived equation(3), indicates that 2-vinylpyridine is expected to have moderate mobility in soil(SRC). 2-Vinylpyridine has a pKa of 4.98(6), 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-vinylpyridine is expected to be much lower in acidic soils than in neutral or alkaline soil(SRC). Volatilization of the neutral species of 2-vinylpyridine from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.6X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(4), however, the protonated form will not volatilize(SRC). The potential for volatilization of 2-vinylpyridine from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 2.6 mm Hg(SRC), determined from a fragment constant method(5). Biodegradation of 2-vinylpyridine in soil is not expected to be a major fate process based on a single aerobic screening test showing that 2-vinylpyridine was not biodegraded over a 4-week period(2).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 160(SRC), determined from a log Kow of 1.54(2)and a regression-derived equation(3), indicates that 2-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 3.6X10-6 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 10 and 80 days, respectively(SRC). The pKa of 2-vinylpyridine is 4.98(7), 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), a estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation of 2-vinylpyridine in water is not expected to be a major fate process based on a single aerobic screening test showing that 2-vinylpyridine was not biodegraded over a 4 week period(2).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-vinylpyridine, which has an estimated vapor pressure of 2.6 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-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 6.8 hours(SRC), calculated from its rate constant of 5.67X10-11 cu cm/molecule-sec at 25 °C(3). Vapor-phase 2-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
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.
Signs and Symptoms · 4 条

Cough. Headache. Nausea. Sore throat.

MAY BE ABSORBED! Redness. Serious skin burns. Pain. Further see Inhalation.

Redness. Pain.

Further see Inhalation.

Effluent Concentrations · 1 条

2-Vinylpyridine was detected in 2 of 21 industrial categories of wastewater effluents(1). Extract from the wastewater of a public owned sewage treatment works contained 2-vinylpyridine at an average concn of 68 mg/l; and the extract from wastewater of a rubber processing facility contained 2-vinylpyridine at an average concn of 209 mg/l(1).

Soil Adsorption/Mobility · 1 条

The Koc of 2-vinylpyridine is estimated as 160(SRC), using a measured log Kow of 1.54(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-vinylpyridine is expected to have moderate mobility in soil. The pKa of 2-vinylpyridine is 4.98(4), 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-vinylpyridine is expected to be greater in acidic soils(SRC).

安全数据

F
8-19
wgk
3
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 100 mg/kg
RTECS号
UU1040000
hazard_note
Toxic

毒性防护

急性毒性口服-大鼠 LD50: 100 毫克/公斤; 口服-小鼠 LD50: 420 毫克/公斤

包装储运 · 3 条

可燃性危险特性明火可燃; 受热分解有毒氧化氮气体

储运特性库房通风低温干燥; 与食品原料分开储运

灭火剂干粉、二氧化碳、砂土、泡沫

化学与工业

药理信息

Absorption, Distribution and Excretion · 3 条

... /IT IS/ ABSORBED FROM GI TRACT, SKIN & RESP TRACT IN ... /RATS & MICE/.

MAJORITY OF /PYRIDINE/ DERIVATIVES TESTED ... PENETRATE INTACT GUINEA PIG SKIN READILY. AMINOPYRIDINES, VINYLPYRIDINES & 4-PICOLINE PENETRATE SKIN MOST RAPIDLY & AMYL DERIV & 5-ETHYL-2-METHYLPYRIDINE ARE LEAST READILY ABSORBED. /VINYLPYRIDINES/

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/

用途与制造

Uses · 4 条

Used as an acrylic fiber comonomer, grafting reagent (ashless lubricant dispersants), and chemical intermediate; [HSDB]

Acrylic fiber comonomer; grafting reagent (ashless lubricant dispersants)

Used as a chemical intermediate for the synthesis of: 2-ethylpyridine; vinylpyridine copolymers, latex

2-Vinylpyridine is a large-volume specialty chemical used primarily for manufacturing terpolymers, e.g., styrene, butadiene, and vinylpyridine, used to coat fabric cords of tires and fabric-reinforced rubber products, such as belts.

U.S. Production · 4 条

2023: 1,000,000 - <5,000,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) 2.0X10+9 GRAMS (CONSUMED IN TERPOLYMER)

...demand is as much as 3000 t annually

Consumption PatternsESSENTIALLY 100% AS MONOMER
Industry UsesIntermediate
Methods of Manufacturing · 2 条

Alpha-picoline + formaldehyde (condensation/dehydration)

...manufactured by treatment of 2-methylpyridine with aqueous formaldehyde, followed by dehydration of the resulting intermediate alcohol. The reaction is carried out at 150 to 200 °C in an autoclave. After removal of unreacted 2-methylpyridine by distillation, concentrated aqueous sodium hydroxide is added to the residue and the resultant mixture is distilled under reduced pressure. During distillation, the dehydration of 2-(2-pyridyl)ethanol occurs to give 2-vinylpyridine as a distillate, which can be purified further by fractional distillation under reduced pressure in the presence of an inhibitor such as 4-tert-butylcatecohol.

Formulations/PreparationsCOMMERCIAL 2-VINYLPYRIDINE ... SUPPLIED WITH SMALL AMT OF POLYMERIZATION INHIBITORS ADDED.
应用领域 · 4 条

用途主要用于合成丁苯吡胶乳,也用于制造克矽平、倍他定盐酸盐等药物

用途该品与丁二烯、苯乙烯共聚可制成乙烯基吡啶改性的胶乳,也用于粘结剂。聚2-乙烯吡啶氧化得到防治矽肺病的药物克矽平;该品也是血管扩张药培他啶盐酸盐的中间体。还用于照相底片消晕层及高分子电解质。

用途有机合成、医药合成中间体,可用于合成丁苯吡胶乳,也用于制造克矽平(治疗矽肺病药物)、陪他啶盐酸盐(血管扩张药)、离子交换树脂、化学胶片等。

用途2-乙烯吡啶与丁二烯、苯乙烯共聚可制成乙烯基吡啶改性的胶乳,也用于粘结剂。聚2-乙烯吡啶氧化得到防治矽肺病的药物克矽平;该品也是血管扩张药培他啶盐酸盐的中间体。还用于照相底片消晕层及高分子电解质。

制备方法

生产方法由2-羟乙基吡啶脱水而得。

试剂价格

A14056 · 100ml
2-乙烯吡啶, 97%,含0.1% 4-叔-丁基邻苯二酚2-Vinylpyridine, 97%, stab. with 0.1% 4-tert-butylcatechol — 410元
15800 · 250ml
2-乙烯基吡啶2-Vinylpyridine, 97%, stabilized, Thermo Scientific Chemicals — 921元

供应商2 家

河北阜鼎生物科技有限公司[email protected]
嘉兴市安瑞材料科技有限公司[email protected]

相关反应

199 条

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