制备方法

由2-氟联苯乙酮经氧化，酯化，酯交换，水解，脱羧等反应制得。

合成制备方法

由2-氟联苯乙酮经氧化，酯化，酯交换，水解，脱羧等反应制得。

用途简介

用于治疗风湿性关节炎，能明显减轻症状。还可以用于牙科领域小手术后的镇痛消炎。以及治疗急性痛风，效果优于阿司匹林。

用途

  用于治疗风湿性关节炎，能明显减轻症状。还可以用于牙科领域小手术后的镇痛消炎。以及治疗急性痛风，效果优于阿司匹林。

包装等级：

III

风险类别：

6.1(b)

海关代码：

2916399090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R25

安全说明：

S36/37/39-S45

RTECS号：

DU8341000

安全标志：

S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

T,C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DU8341000

CHEMICAL NAME :

4-Biphenylacetic acid, 2-fluoro-alpha-methyl-

CAS REGISTRY NUMBER :

5104-49-4

LAST UPDATED :

199512

DATA ITEMS CITED :

13

MOLECULAR FORMULA :

C15-H13-F-O2

MOLECULAR WEIGHT :

244.28

WISWESSER LINE NOTATION :

QVY1&R CF DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

30 mg/kg/2W-I

TOXIC EFFECTS :

Behavioral - hallucinations, distorted perceptions Behavioral - headache Nutritional and Gross Metabolic - other changes

REFERENCE :

BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 4,496,1974

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

14 mg/kg/7D-I

TOXIC EFFECTS :

Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :

AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 112,550,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

117 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea Blood - normocytic anemia

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

108 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Blood - normocytic anemia

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

100 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Blood - normocytic anemia

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

640 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Blood - normocytic anemia

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

890 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 49,98,1986

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

550 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - hypermotility, diarrhea

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>385 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - sensory change involving peripheral nerve Sense Organs and Special Senses (Eye) - changes in refraction Behavioral - convulsions or effect on seizure threshold

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 9,2641,1975

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 10,232,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

290 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,707,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

260 mg/kg/30D-I

TOXIC EFFECTS :

Blood - normocytic anemia Blood - changes in other cell count (unspecified) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 10,2132,1976 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

10 mg/kg

SEX/DURATION :

female 21 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

REFERENCE :

PEREBL Pediatric Research. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1967- Volume(issue)/page/year: 22,567,1987

毒理学数据：

1、急性毒性：男人口径TDLo：30 mg/kg/2W-I；女人口径TDLo：14 mg/kg/7D-I；大鼠口径LD50：117mg/kg

             大鼠腹腔LD50：108 mg/kg；大鼠皮下LD50：100 mg/kg；小鼠口径LD50：640 mg/kg

             小鼠腹腔LD50：890 mg/kg；小鼠皮下LD50：550 mg/kg；小鼠静脉LD50：>385 mg/kg

生态数据：

该物质对环境可能有危害，对水体应给予特别注意

中国海关编码：2916399090

概述：

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

摘要/Summary：

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构数据

1、   摩尔折射率：66.58

2、   摩尔体积（m³/mol）：203.6

3、   等张比容（90.2K）：524.5

4、   表面张力（dyne/cm）：44.0

5、   极化率（10^-24cm³）：26.39

计算化学数据

1、   疏水参数计算参考值（XlogP）：4.2

2、   氢键供体数量：1

3、   氢键受体数量：3

4、   可旋转化学键数量：3

5、   拓扑分子极性表面积（TPSA）：37.3

6、   重原子数量：18

7、   表面电荷：0

8、   复杂度：286

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：1

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：1

• 
  氟苯布洛芬核磁图(¹HNMR)
• 
  氟苯布洛芬核磁图(¹³CNMR)
• 
  氟苯布洛芬质谱(MS)
• 
  氟苯布洛芬红外图谱(IR1)
• 
  氟苯布洛芬红外图谱(IR2)