(1,1'-Biphenyl)-4,4'-dicarboxylic acid (HCID 13084)

名称と識別子

優先名称: (1,1'-Biphenyl)-4,4'-dicarboxylic acid
IUPAC: 4-(4-carboxyphenyl)benzoic acid
現地名: 4,4'-ビフェニルジカルボン酸
英語名: Biphenyl-4,4'-dicarboxylic acid
分子式: C14H10O4
分子量: 242.23

名称と別名

787-70-2[1,1'-Biphenyl]-4,4'-dicarboxylic acid4,4'-BIPHENYLDICARBOXYLIC ACID4,4'-Bibenzoic acid4,4'-Dicarboxybiphenylp,p'-Diphenic acid(1,1'-Biphenyl)-4,4'-dicarboxylic acidNSC-600165D8ABY24N2DTXSID70611404,4'-DIPHENYL DICARBOXYLIC ACIDRefChem:391085

名称をさらに表示

4,4'-ビフェニルジカルボン酸p,p'-ジフェン酸[1,1'-ビフェニル]-4,4'-ジカルボン酸ビフェニル-4,4'-ジカルボン酸4,4'-ジフェン酸4,4'-ビ安息香酸1,1'-ビフェニル-4,4'-ジカルボン酸4,4’-ジカルボキシビフェニル4,4'-ジフェニルジカルボン酸4,4'-二安息香酸1，1’-ビフェニル-4，4’-ジカルボン酸ビフェニル-4,4′-ジカルボン酸[1,1'-ビフェニル]-4,4'-二カルボン酸, min. 98%4,4′-ビフェニルジカルボン酸DK7488usafdo-69Biphenyl-4,4BIBENZOIC ACID-4,4’-dicarboxyL4,4'-Diphenit acid

DTXCID1048128212-328-3Biphenyl-4,4'-dicarboxylic acid4-(4-carboxyphenyl)benzoic acid84787-70-24,4'-Diphenic acidUSAF DO-694,4'-Dibenzoic Acid

データベース識別子

CAS: 787-70-2
PubChem CID: 13084
DTXSID: DTXSID7061140
ChEMBL: CHEMBL3593502
UNII: 5D8ABY24N2
EC Number: 212-328-3
Nikkaji: J21.942H

物性

構造計算による物性

XLogP: 3.4
極性表面積: 74.6 Å²
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: 3
重原子数: 18
形式電荷: 0
複雑度: 278

実験および物理化学的性質

Physical DescriptionCoarse white powder; [3M MSDS]

物理化学的性質

融点: 300 °C · >300 °C(lit.)
沸点: 482.5 · 482.5±38.0 °C(Predicted)
比重(密度): 1.347 · 1.347±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 3.77 · 3.77±0.10(Predicted)
外見: 粉
色: ホワイトからライトベージュ
BRN: 523308 · 523308
InChI: InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: NEQFBGHQPUXOFH-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C(O)=O)C=C2)=CC=C(C(O)=O)C=C1
CAS データベース: 787 · 787-70-2(CAS DataBase Reference)
EPAの化学物質情報: 1 · [1,1'-Biphenyl]-4,4'-dicarboxylic acid (787-70-2)

化学的性質

化学的特性White to light beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards SummaryIntraperitoneal LD50 (mouse) = 500 mg/kg; [RTECS] A severe skin and eye irritant; [3M MSDS] See Biphenyl.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DV2975000
hs_code: 29173990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36
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

UsesUsed as an intermediate; [3M MSDS]

Use ClassificationCosmetics -> Skin conditioning; Soothing; Cleansing

General Manufacturing Information[1,1'-Biphenyl]-4,4'-dicarboxylic acid: ACTIVE

応用分野

使用Dendrimer building block.

調製方法 · 1 件

純化方法The dicarboxylic acid is a white amorphous or microcrystalline substance which does not melt or sublime. It is best purified by precipitation of an aqueous alkaline solution with mineral acid, washing well with H2O and drying in vacuo at 100o. It is characterized by conversion to diphenyl-4,4’-dicarbonyl chloride (with PCl5 [Work J Chem Soc 1317 1940], or by phase transfer catalysis with SOCl2 + BuEt3N+Cl-in 1,2-dichloroethane [Burdett Synthesis 441 1991]) which crystallises from *C6H6 with m 184o. The di-acid chloride gives the dimethyl ester with MeOH, and has m 215-217o (plates from MeOH, m’s of 214o and 224o were also reported). The diethyl ester is similarly prepared with EtOH and has m 122o (from EtOH). [Beilstein 9 II 665, 9 III 4519, 9 IV 3563.]

上流・下流製品情報

下流製品

4,4'-ビフェニルジカルボニルクロリド 4,4'-ビフェニルジメタノール dimethyl-2-nitro-1,1′-biphenyl-4,4′-dicarboxylate

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北博杰生物科技有限公司0713-2060728 15629612610

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

4,4'-ビフェニルジカルボン酸

基本情報