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4-羟基苯丙酮; 对羟基苯丙酮

4-羟基苯丙酮; 对羟基苯丙酮用途

【用途一】
用作液晶原料及中间体

4-羟基苯丙酮; 对羟基苯丙酮名称

[ CAS 号 ]:
70-70-2

[ 中文名 ]:
4-羟基苯丙酮

[ 英文名 ]:
1-(4-Hydroxyphenyl)propan-1-one

[中文别名 ]:

[英文别名 ]:

4'-hydroxy-propiophenone
H-365
EINECS 202-815-9
paroxypropione
p-Hydroxypropiophenone
1-Propanone, 1-(4-hydroxyphenyl)-
4-Hydroxypropiophenone
Mepal
POP
para-hydroxy-propiophenone

4-羟基苯丙酮; 对羟基苯丙酮生物活性

[ 描述 ]:

Paroxypropione 是一种人造的非甾体雌激素,在医学上被用作抗促性腺激素。

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

研究领域 >> 内分泌

[参考文献]

[1]. Mombelli E. et al. Evaluation of the OECD (Q)SAR Application Toolbox for the profiling of estrogen receptorbinding affinities. SAR QSAR Environ Res. 2012 Jan;23(1-2):37-57.

[相关活性小分子]

4-羟基苯丙酮; 对羟基苯丙酮物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
152-154 °C26 mm Hg(lit.)

[ 熔点 ]:
36-38 °C(lit.)

[ 分子式 ]:
C₉H₁₀O₂

[ 分子量 ]:
150.174

[ 闪点 ]:
>230 °F

[ 精确质量 ]:
150.068085

[ PSA ]:
37.30000

[ LogP ]:
1.96

[ 外观性状 ]:
白色晶体

[ 蒸汽压 ]:
0.0±0.7 mmHg at 25°C

[ 折射率 ]:
1.542

[ 储存条件 ]:
室温

[ 水溶解性 ]:
0.34 g/l (15 ºC)

4-羟基苯丙酮; 对羟基苯丙酮MSDS

详细MSDS(安全技术说明书)

4-羟基苯丙酮; 对羟基苯丙酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UH1925000

CHEMICAL NAME :: Propiophenone, 4'-hydroxy-

CAS REGISTRY NUMBER :: 70-70-2

BEILSTEIN REFERENCE NO. :: 0907511

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H10-O2

MOLECULAR WEIGHT :: 150.19

WISWESSER LINE NOTATION :: QR DV2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,29,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1130 ug/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 124,212,1960

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 91 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 124,212,1960 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intramuscular

DOSE :: 1600 mg/kg

SEX/DURATION :: female 15-30 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Newborn - stillbirth

REFERENCE :: AOGNAX Archivio di Ostetricia e Ginecologia. (C.C. Postale N 6/19773, Naples, Italy) V.1- 1894- Volume(issue)/page/year: 66,286,1961

4-羟基苯丙酮; 对羟基苯丙酮安全信息

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xn;Xi

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S37-S24/25-S36-S26

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
UH1925000

[ 海关编码 ]:
29145000

4-羟基苯丙酮; 对羟基苯丙酮上下游产品

4-羟基苯丙酮; 对羟基苯丙酮上游产品

4-羟基苯丙酮; 对羟基苯丙酮下游产品

4-羟基苯丙酮; 对羟基苯丙酮制备

将无水三氯化铝加入二硫化碳中，搅拌，滴加丙酸苯酯，反应立即发生并放出氯化氢，因反应放热而使二硫化碳回流。滴加完毕，将反应混合物加热回流2h，至氯化氢不再逸出。蒸除二硫化碳，升温至140-150℃保温3h，又放出氯化氢。将生成的树脂状物质冷却，缓缓加入盐酸和水，使铝的复盐分解。放置冰箱中过夜，过滤，将滤饼用甲醇重结晶，得对羟基苯丙酮，收率34-39%。

4-羟基苯丙酮; 对羟基苯丙酮海关

[ 海关编码 ]: 2914501900

[ 中文概述 ]:
2914501900 其他酮酚。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装

[ Summary ]:
2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

4-羟基苯丙酮; 对羟基苯丙酮文献

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Toxicol. Mech. Methods 18 , 217-27, (2008)

ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes...

Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives.

Bioorg. Med. Chem. Lett. 16 , 592-5, (2006)

4-Hydroxybenzaldehyde (HBA) derivatives were examined as inhibitors for GABA transaminase (GABA-T) and succinic semialdehyde dehydrogenase (SSADH). Investigation of structure-activity relation reveale...

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