4,4'-Dihydroxybiphenyl (HCID 7112)

名称と識別子

優先名称: 4,4'-Dihydroxybiphenyl
IUPAC: 4-(4-hydroxyphenyl)phenol
現地名: 4,4'-ビフェノール
英語名: 4,4'-Biphenol
分子式: C12H10O2
分子量: 186.21

名称と別名

4,4'-Dihydroxybiphenyl92-88-64,4'-BIPHENOL4,4'-Biphenyldiol[1,1'-Biphenyl]-4,4'-diolBiphenyl-4,4'-diolp,p'-Biphenolp,p'-Diphenol4,4'-dihydroxydiphenylAntioxidant DOD4,4'-Dioxydiphenyl4,4'-Bisphenol

名称をさらに表示

4,4'-ビフェノール4,4'-ビ(フェノール)4'-ヒドロキシ-1,1'-ビフェニル-4-オール4,4'-ビフェニルジオールビフェニル-4,4'-ジオールp,p'-ビフェノール[1,1'-ビフェニル]-4,4'-ジオール4,4'-ジヒドロキシビフェニル1,1'-ビフェニル-4,4'-ジオールp,p'-ジフェノール4,4'-ビ[フェノール]4，4’ビフェノ-ル4,4′-ジヒドロキシビフェニル4,4′-ビフェニルジオールP,P′-ビフェノール４，４ジヒドロキシジフェニル４，４－ジヒドロキシ－ジフェニル4，4’-ジヒドロキシ-ジ-フェニル4,4'-ジヒドロキシ-ジフェニル4,4′‐ビフェニルジオールPPDPBIPHENOLDOD(1R,2R)-Cyclohexane-1,2-diolBIPHENOL SUBL5

p,p'-DihydroxybiphenylASM DOD(1,1'-Biphenyl)-4,4'-diolDihydroxybiphenylDTXSID1029120NSC-8711DTXCID709120GM-W06

データベース識別子

CAS: 92-88-6
PubChem CID: 7112
DTXSID: DTXSID1029120
ChEMBL: CHEMBL76398
ChEBI: CHEBI:34367
UNII: R8994A0904
EC Number: 202-200-5
Nikkaji: J45.978J

物性

構造計算による物性

XLogP: 3.6
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 145

実験および物理化学的性質

Vapor Pressure0.00000079 [mmHg]

Physical Description · 2 件

Dry Powder; Other Solid

Off-white, light beige, or light gray odorless powder; [Acros Organics MSDS]

Kovats Retention Index · 2 件

1979

2046

物理化学的性質

融点: 280 · 280-282 °C(lit.)
沸点: 280.69 °C · 280.69°C (rough estimate)
比重(密度): 1.22 · 1.22
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.601 · 1.6010 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 9.74 · 9.74±0.26(Predicted)
外見: 粉
色: オフホワイトからライトベージュまたはライトグレー
水溶解度: 難溶性
BRN: 1908886 · 1908886
化粧品成分の機能: 漂白肌を保護する
InChI: 1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChIKey: VCCBEIPGXKNHFW-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)-c2ccc(O)cc2
LogP: 2.7 at · 2.7 at 20℃
CAS データベース: 92 · 92-88-6(CAS DataBase Reference)
NISTの化学物質情報: p,p'-Biphenol(92-88-6)
EPAの化学物質情報: 4 · 4,4'-Biphenyldiol (92-88-6)

化学的性質

化学的特性Powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 211) of reports.

Warning

H312 (44.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (26.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (55.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (25.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (18.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H412 (55.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 211 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 211 reports by companies.；There are 14 notifications provided by 210 of 211 reports by companies with hazard statement code(s).；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

Regulatory Information · 3 件

Chemical: [1,1'-Biphenyl]-4,4'-diol

[1,1'-Biphenyl]-4,4'-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-4,4'-diol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15910；Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776

Hazards Summary · 1 件

Showed estrogenic activity in Saccharomyces cerevisiae hER in vivo assays; [EPA - TSCATS] Abnormal urinalysis, reversible gross and histopathological liver changes in males, and no evidence of reproductive or developmental toxicity observed in oral study of rats; [JECDB] May cause skin sensitization; [ECHA REACH Registrations] An irritant; Harmful by skin absorption; [Acros Organics MSDS] See Biphenyl.

Hazard Classes and Categories · 3 件

Acute Tox. 4 (44.1%)；Skin Irrit. 2 (26.1%)；Skin Sens. 1 (55.9%)；Eye Irrit. 2 (25.6%)；STOT SE 3 (25.1%)；Aquatic Chronic 2 (18.5%)；Aquatic Chronic 3 (55.5%)

Acute toxicity (Dermal) - Category 4；Germ cell mutagenicity - Category 2；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

Skin sensitization - Category 1；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

法規制情報

Regulatory Information · 3 件

Chemical: [1,1'-Biphenyl]-4,4'-diol

[1,1'-Biphenyl]-4,4'-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-4,4'-diol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15910；Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776

安全データ

wgk: 2
tsca: TSCA listed
rtecs: DV4725000
ridadr: 3077
毒性: LD50 orl-rat: 9850 mg/kg TXAPA9 28,313,74
hs_code: 29061900
risk_code: 21-36/37/38-37/38/68-36
化審法: (4)-820
hazard_code: Xn
safety_code: 26-36-24/25-36/37
hazard_class: 9
packing_group: III
Hazard Classifications: Aquatic Chronic 3Self-heat. 2Skin Sens. 1
ストレージクラス: 4.2 - Pyrophoric and self-heating hazardous materials

化学と産業

用途と製造

UsesUsed to make plastics and as a laboratory reagent; [ECHA REACH Registrations]

U.S. Production2023: 10,000,000 - <25,000,000 lb；2022: 10,000,000 - <25,000,000 lb；2021: 10,000,000 - <25,000,000 lb；2020: 10,000,000 - <25,000,000 lb

Consumer UsesMonomers

Industry UsesMonomers；Intermediate

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing；Plastics Material and Resin Manufacturing

[1,1'-Biphenyl]-4,4'-diol: ACTIVE

応用分野 · 2 件

用途有機合成原料,合成樹脂

使用4,4'-biphenol be used intermediate liquid crystal polymers raw materials. Synthetic polymers, due to its excellent heat resistance, it is used as polyester, urethane modified monomer, polycarbonate, polysulfone, and epoxy resin, for the manufacture of an excellent engineering plastics and composite materials. Antioxidant antioxidants for rubber and plastics. Dye intermediates or petroleum products stabilizer.

調製方法 · 2 件

4,4'-Biphenol can be synthesized in excellent yields by debutylation of 3,3',5,5'-tetra-tert-butyl-4,4'-dihydroxybiphenyl. Other production processes are the alkaline fusion of 4,4'-biphenyldisulfonic acid, the boil down of benzidinebisdiazonium salts, and the decarboxylation of 4,4'-dihydroxybiphenyl-2-carboxylic acid. Symmetrically alkylated 4,4'-dihydroxybiphenyls such as 4,4'-dihydroxy-2,2',3,3',5,5',6,6'-hexamethylbiphenyl are preferably obtained by the oxidative coupling of the corresponding substituted monophenols. Here, diphenoquinones are generally formed in the first step which must be reduced. Phenol itself always gives isomeric mixtures of dihydroxybiphenyls on coupling with various oxidants. These mixtures are also formed by alkaline fusion of 4,4'-dihydroxybiphenylsulfone.

純化方法Recrystallise the biphenol from aqueous EtOH preferably under N2 to avoid oxidation to the extended qiunone. It is characterized as the dimethyl derivative (4,4’-dimethoxybiphenyl) from which it is prepared by demethylation. The dimethoxy derivative has m 176.5-177o (from AcOH, EtOH, hexane or *C6H6) and sublimes in vacuo. [Williamson & Rodebush J Am Chem Soc 63 3019 1941, Beilstein 6 I 485, 6 II 962, 6 III 6389, 6 IV 6651.]

上流・下流製品情報

上流原料

4,4'-ビス(トリメチルシリルオキシ)-1,1'-ビフェニル 6,6'-Di-tert.butyl-4,4'-bi-ortho-cresol 4-ヒドロキシ-4'-メトキシビフェニル 4,4'-ジメトキシビフェニル 2,2',6,6'-テトラ-tert-ブチル-4,4'-ビフェノール 4'-フルオロビフェニル-4-オール 4,4'-ジフルオロビフェニル 4-クロロフルオロベンゼン 4-ブロモフェノール

下流製品

4-シアノ-4'-ヒドロキシビフェニル 4,4′-(ビフェニル-4,4′-ジイルビスオキシ)ビス[3-(トリフルオロメチル)アニリン]3,3',5,5'-tetraformyl-4,4'-biphenyldiol 4,4'-ビフェニルジカルボニトリル Cyanic acid, [1,1'-biphenyl]-4,4'-diyl ester [1,1'-biphenyl]-4,4'-diyl bis(2-Methylacrylate)3,3',5,5'-tetrabromo-[1,1'-biphenyl]-4,4'-diol

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

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]

補足説明

定義ChEBI: A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.

4,4'-ビフェノール

基本情報