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ナフェノピン

Nafenopin

HCID 19592
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
3771-19-5
標準SMILES
CC(C)(Oc1ccc(C2CCCc3ccccc32)cc1)C(=O)O
InChIKey
XJGBDJOMWKAZJS-UHFFFAOYSA-N
分子式
C20H22O3
平均分子量
310.4 g/mol
単同位体質量
310.15689456

概要

Nafenopin can cause cancer according to an independent committee of scientific and health experts.

名称と識別子

優先名称
Nafenopin
IUPAC
2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid
現地名
ナフェノピン
英語名
Nafenopin
分子式
C20H22O3
分子量
310.39

名称と別名

Nafenopin3771-19-5MelipanNafenoic acidTPIANafenopineSU-13437NafenopinumDTXSID8020911Ciba 13437 SUnafenopinaCH 13437
名称をさらに表示
メリパン2-メチル-2-[4-(1,2,3,4-テトラヒドロナフタレン-1-イル)フェノキシ]プロピオン酸ナフェノピン2-メチル-2-[p-(1,2,3,4-テトラヒドロナフタレン-1-イル)フェノキシ]プロピオン酸2-メチル-2-[4-(1,2,3,4-テトラヒドロナフタレン-1-イル)フェノキシ]プロパン酸C-13437SuCIBA-13437SuNafenopin USP/EP/BP2-methyl-2-(4-tetralin-1-ylphenoxy)propionic acid2-METHYL-2-PARA-(1,2,3,4-TETRAHYDRO-1-NAPHTHYL)PHENOXYPROPIONICACID2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoicaci
C 13437 SUSU 13437CH 13-437093W78U96W2-Methyl-2-(p-(1,2,3,4-tetrahydro-1-naphthyl)phenoxy)propionic acidDTXCID40911Propanoic acid, 2-methyl-2-(4-(1,2,3,4-tetrahydro-1-naphthalenyl)phenoxy)-2-Methyl-2-(4-(1,2,3,4-tetrahydro-1-naphthalenyl)phenoxy)propanoic acid

データベース識別子

CAS
3771-19-5

物性

構造計算による物性

XLogP
4.9
極性表面積
46.5 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
4
重原子数
23
形式電荷
0
複雑度
409

実験および物理化学的性質

Melting Point243 to 244 °F (NTP, 1992)
Physical DescriptionCrystals. (NTP, 1992)

物理化学的性質

融点
117 · 117-118 °C
沸点
390.55 °C · 390.55°C (rough estimate)
比重(密度)
1.1662 · 1.1662 (rough estimate)
屈折率
1.4618 · 1.4618 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
3.28 · 3.28±0.10(Predicted)
EPAの化学物質情報
Nafenopin (3771-19-5)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Regulatory InformationHazard Traits - Carcinogenicity
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical include a decrease of serum triglycerides.
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

An organic 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 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.

Air and Water Reactions

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.

A class of nongenotoxic CARCINOGENS that induce the production of hepatic PEROXISOMES and induce hepatic neoplasms after long-term administration.

応用分野

一般的な説明Crystals.

サプライヤー20 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
PubChem CID
19592
DTXSID
DTXSID8020911
ChEMBL
CHEMBL1909070
ChEBI
CHEBI:77649
UNII
093W78U96W
Nikkaji
J8.248A
No rapid reaction with air. No rapid reaction with water.

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 weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

毒性情報

Carcinogen Classification · 5 件

Nafenopin

Group 2B: Possibly carcinogenic to humans

Volume 24: (1980) Some Pharmaceutical Drugs

1987

1987

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
+86-29-81139210 +86-17392587031 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
艾琪康医药科技(上海)有限公司13512160998; 13512160998 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
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成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
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江苏艾康生物医药研发有限公司17714375163 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]

補足説明

定義ChEBI: A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted to the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether.