5-氟-4-羟基嘧啶

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 下游产品

5-氟-4-羟基嘧啶 基本信息

中文名称:
5-氟-4-羟基嘧啶 
中文别名:
5-氟-4-羟基嘧啶;
5-氟嘧啶醇;
富雪定;
4-羟基-5-氟嘧啶;
5-氟-3H-嘧啶-4-酮 
英文名称:
4(3H)-Pyrimidinone,5-fluoro-
英文别名:
5-Fluoro-4-hydroxypyrimidine;
5-fluoro-1H-pyrimidin-6-one 
CAS No.:
671-35-2
分 子 式:

C4H3FN2O

分 子 量:
114.08
精确分子量:
114.02300
PSA:
46.01000
MDL:
MFCD00223674
InChI:
InChI=1/C10H4F10O2/c11-3-5(13)8(22-2-10(18,19)20)6(14)4(12)7(3)21-1-9(15,16)17/h1-2H2
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

5-氟-4-羟基嘧啶 制备方法及用途

制备方法

由氟乙酸乙酯经缩合反应而得。将甲醇钠加入干燥的反应锅内,加甲酸乙酯除去甲醇钠中的游离碱。搅拌下常压蒸出甲醇,然后减压蒸馏,直至甲醇钠成为白色粉末,降温至50℃,加入甲苯。再降至10℃下,滴加甲酸乙酯。加完后仍保持10℃以下滴加氟乙酸乙酯,加毕,在20-25℃反应7h,然后降至10℃以下,加入无水甲醇及乙酸甲脒,搅拌至反应物固化,静置过夜。加入盐酸,慢慢加热使固化物溶解。过滤,滤液常压蒸去部分液体,冷却结晶,过滤得到粗品。用无水乙醇重结晶,活性炭脱色,即得5-氟-4-羟基嘧啶。

合成制备方法

由氟乙酸乙酯经缩合反应而得。将甲醇钠加入干燥的反应锅内,加甲酸乙酯除去甲醇钠中的游离碱。搅拌下常压蒸出甲醇,然后减压蒸馏,直至甲醇钠成为白色粉末,降温至50℃,加入甲苯。再降至10℃下,滴加甲酸乙酯。加完后仍保持10℃以下滴加氟乙酸乙酯,加毕,在20-25℃反应7h,然后降至10℃以下,加入无水甲醇及乙酸甲脒,搅拌至反应物固化,静置过夜。加入盐酸,慢慢加热使固化物溶解。过滤,滤液常压蒸去部分液体,冷却结晶,过滤得到粗品。用无水乙醇重结晶,活性炭脱色,即得5-氟-4-羟基嘧啶。

用途简介

医药生物化工中间体。

用途

该品为抗肿瘤药物。

5-氟-4-羟基嘧啶 物化性质

密度:
1.46 g/cm3
沸点:
200.5ºC at 760 mmHg
闪点:
81.6ºC
折射率:
1.369
其它信息:

1.性状:白色鳞片状结晶

2. 熔点(ºC):203-204

3.溶解性:易溶于水,碱性溶液,溶于乙酸,热乙醇,不溶于乙醇,丙酮,氯仿,乙醚.

5-氟-4-羟基嘧啶 安全信息

海关代码:
2933599090
危险标志:
Xi: Irritant;

5-氟-4-羟基嘧啶 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7450000
CHEMICAL NAME :
4(1H)-Pyrimidinone, 5-fluoro-
CAS REGISTRY NUMBER :
671-35-2
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H3-F-N2-O
MOLECULAR WEIGHT :
114.09
WISWESSER LINE NOTATION :
T6N CNJ DQ EF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
118 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Tumorigenic - active as anti-cancer agent
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(6),7,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Tumorigenic - active as anti-cancer agent
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(6),7,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 28,159,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1435 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression Tumorigenic - active as anti-cancer agent
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(6),7,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
175 mg/kg/7D-I
TOXIC EFFECTS :
Blood - changes in leukocyte (WBC) count
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 15(6),7,1980

5-氟-4-羟基嘧啶 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      5-Fluoro-4-hydroxypyrimidine    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        5-Fluoro-4-hydroxypyrimidine    
    CAS number:        671-35-2    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C4H3FN2O    
    Molecular weight:        114.1    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-氟-4-羟基嘧啶 海关数据

中国海关编码:2933599090

概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-氟-4-羟基嘧啶 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:24.31

2、  摩尔体积(cm3/mol):78.5

3、  等张比容(90.2K):217.7

4、  表面张力(dyne/cm):59.0

5、  极化率(10-24cm3):9.63

计算化学数据

1.疏水参数计算参考值(XlogP):-0.4

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:0

5.互变异构体数量:3

6.拓扑分子极性表面积41.5

7.重原子数量:8

8.表面电荷:0

9.复杂度:173

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

5-氟-4-羟基嘧啶 下游产品

推荐供应商更多供应商>>

湖北齐飞医药化工有限公司

产品介绍:
产品名称:4-羟基-5-氟嘧啶 Cas号:671-35-2 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:朱梦蝶 电话:027-59322506 手机:18071128683

湖北实顺生物科技有限公司

产品介绍:
产品名称:4-羟基-5-氟嘧啶 Cas号:671-35-2 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:张经理 电话:027-59223025 手机:15172526927

湖北永阔科技有限公司

产品介绍:
产品名称:4-羟基-5-氟嘧啶 Cas号:671-35-2 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:徐 电话:027-59223108 手机:15107166787

天门恒昌化工有限公司

产品介绍:
产品名称:4-羟基-5-氟嘧啶 Cas号:671-35-2 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:黄经理 电话:027-59322316 手机:15827039378

湖北广奥生物科技有限公司

产品介绍:
产品名称:5-氟-4-羟基嘧啶 Cas号:671-35-2 纯度:99% 包装信息:1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶,200kg镀锌铁桶/塑料桶,1t吨袋 价格:1.0元 - 1,000.0元
联系方式:
联系人:孙经理 电话:027-59223056 手机:15271829679

湖北信康医药化工有限公司

产品介绍:
产品名称:4-羟基-5-氟嘧啶 Cas号:671-35-2 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:张欢 电话:027-59308705 手机:18827031272

湖北万得化工有限公司

产品介绍:
产品名称:5-氟-4-羟基嘧啶 Cas号:671-35-2 纯度:99% 包装信息:1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶,200kg镀锌铁桶/塑料桶,1t吨袋 价格:1.0元 - 1,000.0元
联系方式:
联系人:王念 电话:027-59210159 手机:15172311821

上海吉至生化科技有限公司

产品介绍:
产品名称:5-Fluoro-4-hydroxypyrimidine Cas号:671-35-2 纯度:97% 包装信息:1gea,5gea 价格:152.0元 - 172.0元
联系方式:
联系人:江珊 电话:021-57520831 手机:15316869680

湖北摆渡化学有限公司

产品介绍:
产品名称:5-氟-4-羟基嘧啶 Cas号:671-35-2 纯度:99% 包装信息:10kg 价格:洽谈
联系方式:
联系人:邹经理 电话:027-59223020 手机:18871490324

湖北江民泰华化工有限公司

产品介绍:
产品名称:5-氟-4-羟基嘧啶 Cas号:671-35-2 纯度:99% 包装信息:25kg,200kg 价格:洽谈
联系方式:
联系人:张经理 电话:13396038321 手机:13396038321