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4-4'-다이하이드록시디페닐

4,4'-Dihydroxybiphenyl

HCID 7112
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
92-88-6
표준 SMILES
Oc1ccc(-c2ccc(O)cc2)cc1
InChIKey
VCCBEIPGXKNHFW-UHFFFAOYSA-N
분자식
C12H10O2
평균 분자량
186.21 g/mol
단동위원소 질량
186.06807956

이름 및 식별자

우선 이름
4,4'-Dihydroxybiphenyl
IUPAC
4-(4-hydroxyphenyl)phenol
현지명
4-4'-다이하이드록시디페닐
영어명
4,4'-Biphenol
분자식
C12H10O2
분자량
186.21

이름 및 동의어

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
이름 더 보기
4-4'-다이하이드록시디페닐[1,1'-바이페닐]-4,4'-디올4,4'-다이하이드록시다이페닐4,4'-비페놀PPDPBIPHENOLDOD(1R,2R)-Cyclohexane-1,2-diolBIPHENOL SUBL5
p,p'-DihydroxybiphenylASM DOD(1,1'-Biphenyl)-4,4'-diolDihydroxybiphenylDTXSID1029120NSC-8711DTXCID709120GM-W06

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
3.6
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
14
형식 전하
0
복잡도
145

실험 및 물리화학적 성질

Vapor Pressure0.00000079 [mmHg]
Physical Description · 2건

Dry Powder; Other Solid

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

Kovats Retention Index · 2건

1979

2046

물리화학적 성질

녹는점
280 · 280-282 °C(lit.)
끓는 점
280.69 °C · 280.69°C (rough estimate)
밀도
1.22 · 1.22
증기압
0 Pa · 0Pa at 25℃
굴절률
1.601 · 1.6010 (estimate)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
9.74 · 9.74±0.26(Predicted)
물리적 상태
가루
색상
미색에서 밝은 베이지 또는 밝은 회색까지
수용성
난용성
BRN
1908886 · 1908886
화장품 원료 기능
피부의 멜라닌 생성을 줄입니다피부 보호

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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

화학 및 산업

용도 및 제조

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 · 2건

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

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

응용 분야 · 1건

용도4,4'-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.

제조 방법 · 1건

생산 방법4,4'-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.

관련 반응

112건
반응 기록 만들기
HRID 3988 반응식
HRID 3988반응물로uspto-grants-1988_02
HRID 30949 반응식
HRID 30949반응물로uspto-grants-2008_09
HRID 30950 반응식
HRID 30950반응물로uspto-grants-2008_09
HRID 30951 반응식
HRID 30951반응물로uspto-grants-2008_09
HRID 35985 반응식
HRID 35985반응물로uspto-grants-1995_05
HRID 65396 반응식
HRID 65396반응물로uspto-grants-1986_09
HRID 128845 반응식
HRID 128845반응물로uspto-grants-1995_11
HRID 128846 반응식
HRID 128846반응물로uspto-grants-1995_11
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화합물 노트

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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℃
NIST
p,p'-Biphenol(92-88-6)
EPA
4 · 4,4'-Biphenyldiol (92-88-6)

화학적 성질

Powder

Hazards Summary · 1건

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 · 3건

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

독성 정보

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

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
DV4725000
ridadr
3077
독성
LD50 orl-rat: 9850 mg/kg TXAPA9 28,313,74
HS 번호
29061900
risk_code
21-36/37/38-37/38/68-36
hazard_code
Xn
safety_code
26-36-24/25-36/37
포장분류
III
위험 등급
9
기존화학 물질
2000-3-1561
Hazard Classifications
Aquatic Chronic 3Self-heat. 2Skin Sens. 1
스토리지 클래스
4.2 - Pyrophoric and self-heating hazardous materials

상·하류 제품 정보

상류 원료

4,4'-비스(트리메틸실릴옥시)비페닐6,6'-Di-tert.butyl-4,4'-bi-ortho-cresol4-하이드록시-4'-메톡시비페닐4,4'-디메톡시비페닐3,3',5,5'-테트라(TERT-BUTYL)[1,1'-바이페닐]-4,4'-DIOL4-히드록시-4'-플루오로비페닐4,4'-Difluorobiphenyl클로로(4-)플로로벤젠4-브로모페놀

하류 제품

4'-히드록시-4-비페닐카보니트릴6fapbp3,3',5,5'-tetraformyl-4,4'-biphenyldiol4,4'-BiphenyldicarbonitrileCyanic acid, [1,1'-biphenyl]-4,4'-diyl ester[1,1'-비페닐]-4,4'-디일비스(2-메틸아크릴레이트)3,3',5,5'-tetrabromo-[1,1'-biphenyl]-4,4'-diol

추가 설명

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