4,4'-Thiodiphenol (HCID 17570)

개요

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

이름 및 식별자

우선 이름: 4,4'-Thiodiphenol
IUPAC: 4-(4-hydroxyphenyl)sulfanylphenol
영어명: 4,4'-Thiobis-phenol
분자식: C12H10O2S
분자량: 218.27

이름 및 동의어

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

이름 더 보기

TDPpharMaceutical interMediateDFS4,4'-Thiodbisphenol4,4’-dioxydiphenylsulfideThiodiphenol4, 98.0%(GC)4,4'-thiobis-

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 65.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 162

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds

LogP3.34

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.00000018 [mmHg]

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

물리화학적 성질

녹는점: 154 · 154-156 °C (lit.)
끓는 점: 328.96 °C · 328.96°C (rough estimate)
밀도: 1.2618 · 1.2618 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: 30 °C · Store below +30°C.
수용성: 물에 불용성
산도 계수 (pKa): 9.31 · 9.31±0.26(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 옅은 갈색까지
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
NIST: 4 · 4-4' Thio diphenol(2664-63-3)
EPA: 4 · Phenol, 4,4'-thiobis- (2664-63-3)

화학적 성질

White, crystalline powder.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory InformationBis(4-hydroxyphenyl)sulfide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: SN0800000
ridadr: UN 3261 8/PG 2
독성: LD50 orally in Rabbit: 3362 mg/kg LD50 dermal Rabbit > 10250 mg/kg
HS 번호: 29309070
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
기존화학 물질: 2013-3-5612
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야

용도4,4'-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.