2,2'-ビ[4-キノリンカルボン酸]

Bicinchoninic acid

HCID 71068CAS 1245-13-2
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12
InChIKey
AFYNADDZULBEJA-UHFFFAOYSA-N
分子式
C20H12N2O4
平均分子量
344.3 g/mol
単同位体質量
344.07970687

名称と識別子

優先名称
Bicinchoninic acid
IUPAC
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
現地名
2,2'-ビ[4-キノリンカルボン酸]
英語名
2,2'-Bicinchoninic Acid
分子式
C20H12N2O4
分子量
344.32

名称と別名

1245-13-2[2,2'-Biquinoline]-4,4'-dicarboxylic acidBicinchoninic acidCX56TX9Y1IDTXSID8061638(2,2'-Biquinoline)-4,4'-dicarboxylic acidNSC-133815RefChem:119647DTXCID4033843214-990-92,2'-Bicinchoninic acid2,2'-Biquinoline-4,4'-dicarboxylic acid
名称をさらに表示
2,2'-ビ[4-キノリンカルボン酸]ビシンコニン酸2,2'-ビシンコニニン酸2,2'-ビキノリン-4,4'-ジカルボン酸2,2'-ビシンコニン酸ビシコニン酸 (BCA)2,2′-ビキノリン-4,4′-ジカルボン酸2,2′-ビシンコニニン酸2,2′-ビ[4-キノリンカルボン酸][2,2'-ビキノリン]-4,4'-ジカルボン酸BCA2,2'-Biquinolinyl-4,4'-dicarboxylic acidBicinchoninAKOS AUF0361TIMTEC-BB SBB002943BCA REAGENT A, 250 MLAbametapir Impurity 2
2,2-Biquinoline-4,4-dicarboxylic acid2,2'-Bicinchonic acid2,2'-Dicinchoninic acidMFCD000683422,2-Bicinchoninic acidC20H12N2O44,4'-Dicarboxy-2,2'-biquinolineNSC 133815

データベース識別子

CAS
1245-13-2
PubChem CID
71068
DTXSID
DTXSID8061638
ChEMBL
CHEMBL431482
UNII
CX56TX9Y1I
EC Number
214-990-9
Nikkaji
J217.077I

物性

構造計算による物性

XLogP
3.2
極性表面積
100 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
3
重原子数
26

実験および物理化学的性質

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点
365 °C · 365°C(lit.)
沸点
626.2 · 626.2±55.0 °C(Predicted)
比重(密度)
1.468 · 1.468±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
外見
powder to crystal
酸解離定数(Pka)
1.77 · 1.77±0.10(Predicted)

化学的性質

化学的特性Beige powder

安全と法規制

危険有害性情報

Regulatory Information[2,2'-Biquinoline]-4,4'-dicarboxylic acid: 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.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 4-Quinolinecarboxylic acid.

法規制情報

Regulatory Information[2,2'-Biquinoline]-4,4'-dicarboxylic acid: 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.

安全データ

F
8-10
wgk
3
tsca
TSCA listed
hs_code
29334900
risk_code
36
safety_code
22-24/25-36-26

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

General Manufacturing Information[2,2'-Biquinoline]-4,4'-dicarboxylic acid: ACTIVE

応用分野

使用2,2′-Biquinoline-4,4′-dicarboxylic acid has been used in a study that synthesized and structurally characterized six metal-organic coordination polymers.

調製方法 · 1 件

純化方法Dissolve the acid in dilute NaOH and precipitate it with acetic acid, filter, wash swell with H2O and dry it at 100o in a vacuum oven. Attempts to form a picrate failed. The methyl ester (SOCl2-MeOH) has m 165.6-166o. [Lesesne & Henze J Am Chem Soc 64 1897 1942, Brown et al. J Am Chem Soc 68 2705 1946, Beilstein 25 III/IV 1148.] For the di-K salt see entry in “Metal-organic Compounds” in Chapter 5.

上流・下流製品情報

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