2-(4-Methylphenyl)benzoic acid (HCID 81568)

名称と識別子

優先名称: 2-(4-Methylphenyl)benzoic acid
IUPAC: 2-(4-methylphenyl)benzoic acid
現地名: 2-(p-トリル)安息香酸
英語名: 4'-Methylbiphenyl-2-carboxylic acid
分子式: C14H12O2
分子量: 212.24

名称と別名

7148-03-02-(4-Methylphenyl)benzoic acid2-(p-Tolyl)benzoic Acid4'-Methyl-2-biphenylcarboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-2-Biphenylcarboxylic acid, 4'-methyl-9XZ5ON5Y1PBenzoic acid, 2-(4-methylphenyl)-4'-methyl[1,1'-biphenyl]-2-carboxylic acidBiphenyl-2-carboxylic acid, 4'-methyl-EINECS 230-462-0NSC 26069

名称をさらに表示

2-(p-トリル)安息香酸4'-メチル-1,1'-ビフェニル-2-カルボン酸4'-メチルビフェニル-2-カルボン酸4’-メチルビフェニル-2-カルボン酸2-(4-メチルフェニル)安息香酸4'-メチル-2-ビフェニルカルボン酸4-メチル-[1,1'-ビフェニル]-2-カルボン酸4-メチルビフェニル-2-カルボン酸AKOS BAR-0260RARECHEM AL BO 0764o-Tolylbenzoic acid4′-Methyl-2-biphenylTelmisartan Impurity 324'-Methyl-2-carboxybiphenyl2-(4-mehtylphenyl)benzoic acid

NSC-26069(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-DTXSID20645734'-Methyl(1,1'-biphenyl)-2-carboxylic acid4-methyl-2'-biphenylcarboxylic acid2-CARBOXY-4'-METHYLBIPHENYL4'-METHYL-2-BIPHENYLYLCARBOXYLIC ACIDRefChem:458130

データベース識別子

CAS: 7148-03-0
PubChem CID: 81568
DTXSID: DTXSID2064573
UNII: 9XZ5ON5Y1P
EC Number: 230-462-0
Nikkaji: J227.398E

物性

構造計算による物性

XLogP: 3.3
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 241

物理化学的性質

融点: 146 · 146-148°C
沸点: 354.5 · 354.5±11.0 °C(Predicted)
比重(密度): 1.156 · 1.156±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO、メタノール
外見: 個体
酸解離定数(Pka): 3.9 · 3.90±0.36(Predicted)
色: 白い
InChI: InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: ZSTUEICKYWFYIC-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C)C=C2)=CC=CC=C1C(O)=O
CAS データベース: 7148 · 7148-03-0(CAS DataBase Reference)
EPAの化学物質情報: 1 · [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl- (7148-03-0)

化学的性質

化学的特性Light yellow solid

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29163990
risk_code: 36/37/38
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用4’-Methylbiphenyl-2-carboxylic Acid is used in the synthesis of angiotensin II receptor antagonists used as potent orally active antihypertensives.

一般的な説明4′-Methyl-2-biphenylcarboxylic acid (4′-Methyl-bi-phenyl-2-carboxyl-ic acid) can be synthesized by reacting 4′-methylbiphenyl-2-carbonitrile with methanol and 30% NaOH solution. Its crystal structure has been characterized by the centrosymmetric hydrogen-bonded dimers.