4,4'-Thiodiphenol (HCID 17570)

概要

4,4'-thiodiphenol is a member of phenols. It derives from a hydride of a diphenyl sulfide.

名称と識別子

優先名称: 4,4'-Thiodiphenol
IUPAC: 4-(4-hydroxyphenyl)sulfanylphenol
現地名: ビス(4-ヒドロキシフェニル)スルフィド
英語名: 4,4'-Thiobis-phenol
分子式: C12H10O2S
分子量: 218.27

名称と別名

4,4'-Thiodiphenol2664-63-3Bis(4-hydroxyphenyl) sulfidePhenol, 4,4'-thiobis-4,4'-Thiobisphenol4,4'-Dihydroxydiphenyl sulfideThiobisphenolp,p'-Dihydroxydiphenyl sulfideBis(4-oxyphenyl)sulfidePHENOL, 4,4'-THIODI-4,4'-sulfanediyldiphenolDTXSID9047960

名称をさらに表示

ビス(4-ヒドロキシフェニル)スルフィド4,4'-チオビス(フェノール)4,4'-チオジフェノール4,4'-チオビスフェノール4-(4-ヒドロキシフェニルチオ)フェノール4,4'-チオジフェノル4,4'-ジヒドロキシジフェニルスルフィド4，4’-チオジフェノール4,4'-チオジフェノール標準品4,4'-チオジフェノール, 98+%4,4'-チオジフェノール STANDARD4,4′-チオジフェノール4,4'-チオジフェノール Standard, 100 µg/mL in MeOH4,4'-チオジフェノール Standard, 1000 µg/mL in MeOHビスフェノールT4-[(4-ヒドロキシフェニル)スルファニル]フェノール4,4′-チオビスフェノール4,4′-チオビス(フェノール)TDPpharMaceutical interMediateDFS4,4'-Thiodbisphenol4,4’-dioxydiphenylsulfideThiodiphenol4, 98.0%(GC)4,4'-thiobis-

NGN288M6MMCHEBI:38957NSC-203030DTXCID5027936TDP cpdRefChem:506901220-197-94,4'-thiobis-phenol

データベース識別子

CAS: 2664-63-3
PubChem CID: 17570
DTXSID: DTXSID9047960
ChEMBL: CHEMBL3183502
ChEBI: CHEBI:38957
UNII: NGN288M6MM
EC Number: 220-197-9
Nikkaji: J31.947C

物性

構造計算による物性

XLogP: 3.3
極性表面積: 65.8 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 162

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

LogP3.34

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.00000018 [mmHg]

Physical DescriptionOff-white crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 154 · 154-156 °C (lit.)
沸点: 328.96 °C · 328.96°C (rough estimate)
比重(密度): 1.2618 · 1.2618 (rough estimate)
屈折率: 1.52 · 1.5200 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
水溶解度: Insoluble in water
酸解離定数(Pka): 9.31 · 9.31±0.26(Predicted)
外見: 結晶性粉末
色: 白色～薄茶色
BRN: 2050739 · 2050739
InChI: 1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey: VWGKEVWFBOUAND-UHFFFAOYSA-N
SMILES: Oc1ccc(Sc2ccc(O)cc2)cc1
CAS データベース: 2664 · 2664-63-3(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-4' Thio diphenol(2664-63-3)
EPAの化学物質情報: 4 · Phenol, 4,4'-thiobis- (2664-63-3)

化学的性質

化学的特性White, crystalline powder.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (81.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 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 InformationBis(4-hydroxyphenyl)sulfide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes tearing and conjunctival irritation in acute ocular studies of rabbits; Causes changes in brain circulation (hemorrhage, thrombosis, etc.) in oral lethal-dose studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Phenyl sulfide.

Hazard Classes and CategoriesSkin Corr. 1B (81.8%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 2
tsca: TSCA listed
rtecs: SN0800000
ridadr: UN 3261 8/PG 2
毒性: LD50 orally in Rabbit: 3362 mg/kg LD50 dermal Rabbit > 10250 mg/kg
hs_code: 29309070
risk_code: 34
化審法: (3)-4030
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationPhenol, 4,4'-thiobis-: ACTIVE

応用分野

使用4,4'-thiobis-phenol can be applied to produce a non-halogen type epoxy (meth)acrylate resin having high refractive index, transparency and thermal stability. It is also used to produce a non-systemic organophosphorus insecticide TEMEPHOS.