1,4-Phenylenediacrylic acid

HCID 759280CAS 16323-43-6

基本情報

標準SMILES
O=C(O)/C=C/c1ccc(/C=C/C(=O)O)cc1
InChIKey
AAFXQFIGKBLKMC-KQQUZDAGSA-N
分子式
C12H10O4
平均分子量
218.2 g/mol

概要

3,3'-(1,4-phenylene)bis-2-propenoic acid appears as yellow powder or solid. (NTP, 1992)

名称と識別子

優先名称
1,4-Phenylenediacrylic acid
IUPAC
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
英語名
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
分子式
C12H10O4
分子量
218.21

名称と別名

1,4-Phenylenediacrylic acid23713-85-1p-Benzenediacrylic acid0F7E4O8Q8YNSC-133919UNII-0F7E4O8Q8Y2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, (E,E)-3,3'-(1,4-Phenylene)bis-2-propenoic acidPhenylene)bis-2-propenoic acid, 3,3'-(1,4-2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, (2E,2'E)-RefChem:196832240-399-0
名称をさらに表示
(E)-1,4-Benzenediacrylic acidE,E-1,4-phenylene-di-(2-ethenyl)carboxylic acid(2E,2'E)-3,3'-(1,4-Phenylene)bis[2-propenoic acid
1,4-Benzenediacrylic acid16323-43-6p-Phenylenediacrylic acid2-Propenoic acid, 3,3'-(1,4-phenylene)bis-(2E,2'E)-3,3'-(1,4-Phenylene)bis[2-propenoic acid](E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acidp-Phenylenebis(acrylic acid)1,4-Phenylenediacrylic acid, 97%

データベース識別子

CAS
16323-43-6、23713-85-1
PubChem CID
759280
ChEMBL
CHEMBL1499488
UNII
0F7E4O8Q8Y
EC Number
240-399-0
Nikkaji
J1.567.375C、J152.147K、J802.841I

物性

構造計算による物性

XLogP
1.8
極性表面積
74.6 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
4
重原子数
16

実験および物理化学的性質

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting Pointgreater than 572 °F (NTP, 1992)
Physical Description3,3'-(1,4-phenylene)bis-2-propenoic acid appears as yellow powder or solid. (NTP, 1992)

物理化学的性質

融点
300 °C · >300 °C
沸点
459.6 · 459.6±33.0 °C(Predicted)
比重(密度)
1.358 · 1.358±0.06 g/cm3(Predicted)
酸解離定数(Pka)
-95.84 · -95.84±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

3,3'-(1,4-PHENYLENE)BIS-2-PROPENOIC ACID is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is stored, weighed and diluted, wear an approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

用途と製造

General Manufacturing Information2-Propenoic acid, 3,3'-(1,4-phenylene)bis-: ACTIVE

サプライヤー10 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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