上海阿拉丁生化科技股份有限公司
上海市上海市浦东新区
产品名：3-氨基-4-苯基-1H-吡唑
纯度：97.0%
规格：1g/5g/1g/1g
联系人：阿拉丁李高志
联系电话：400-620-6333

上海创赛科技有限公司
上海市上海市嘉定区
产品名：[Perfemiker]4-苯基-1H-吡唑-3-胺,96%
纯度：96.0%
规格：25g/5g/1g
联系人：夏言
联系电话：18016376636

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5591-70-8生产厂家

5591-70-8价格

5591-70-8

5591-70-8结构式

常用中文名：3-氨基-4-苯基-1H-吡唑
常用英文名：4-PHENYL-1H-PYRAZOL-3-AMINE
CAS号：5591-70-8
分子式：C₉H₉N₃
分子量：159.18800
发布时间：2018-03-18 08:00:00
更新时间：2024-01-10 09:44:10

化源商城直购

中文名	3-氨基-4-苯基-1H-吡唑
英文名	4-phenyl-1h-pyrazol-3-ylamine
中文别名	3-氨基-4-苯基吡唑
英文别名	skf1572 4-Phenylpyrazol-3-amine 3(or5)-amino-4-phenyl-pyrazol 4-Phenyl-1H-pyrazol-3-amine 4-(4-nitrophenyl)-1H-pyrazol-3-amine USAF EL-34 3-AMINO-4-PHENYLPYRAZOLE 3(5)-amino-4-phenyl-1H-pyrazole 3-amino-4-phenyl-1H-pyrazol 3-AMINO-4-PHENYL-1H-PYRAZOLE 5-Amino-4-phenyl-1H-pyrazole 4-phenyl-1h-pyrazol-4-amin 3-amino-4-phenyl-pyrazol

密度	1.238g/cm3
沸点	394.4ºC at 760mmHg
熔点	170-173 ℃
分子式	C₉H₉N₃
分子量	159.18800
闪点	220.9ºC
精确质量	159.08000
PSA	54.70000
LogP	2.24010
外观性状	白色至浅黄色至黄色粉末或水晶
储存条件	避光，阴凉干燥处，密封保存
稳定性	常温常压下稳定
分子结构	1、摩尔折射率：47.60 2、摩尔体积（m³/mol）：128.5 3、等张比容（90.2K）：360.2 4、表面张力（dyne/cm）：61.6 5、极化率（10 ^-24cm ³）：18.87
计算化学	1、疏水参数计算参考值（XlogP）：1.5 2、氢键供体数量：2 3、氢键受体数量：2 4、可旋转化学键数量：1 5、互变异构体数量：5 6、拓扑分子极性表面积（TPSA）：54.7 7、重原子数量：12 8、表面电荷：0 9、复杂度：143 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
更多	1. 性状：未确定 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：未确定 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 3-Amino-4-phenyl-1h-pyrazole
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

H302:Harmful if swallowed
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:3-Amino-4-phenyl-1h-pyrazole
CAS number:5591-70-8

Section4. 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.

Section5. 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.

Section6. 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.

Section7. 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.
Storage:Store in closed vessels, refrigerated.

Section8. 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.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C9H9N3
Molecular weight: 159.2

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. 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.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. 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

毒理学数据:

急性毒性：

1.大鼠口服最低剂量LDLo：400mg/kg，毒性作用的描述没有报告除此以外的其他致死剂量值。

2. 大鼠静脉LD50：180mg/kg，行为会改变睡眠时间（包括对变化的反射），会有嗜睡的行为（普通抑郁行为）以及肌肉无力的行为。

3.大鼠腹膜LD50：200 mg/kg，毒性作用的描述没有报告除此以外的其他致死剂量值。

生态学数据:

该物质对环境可能有危害，对水体应给予特别注意

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ6104000

CHEMICAL NAME :: Pyrazole, 3-amino-4-phenyl-

CAS REGISTRY NUMBER :: 5591-70-8

LAST UPDATED :: 199803

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H9-N3

MOLECULAR WEIGHT :: 159.21

WISWESSER LINE NOTATION :: T5MNJ CZ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,259,1964

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

符号	GHS07
信号词	Warning
危害声明	H302-H315-H319-H335
警示性声明	P261-P305 + P351 + P338
危害码 (欧洲)	C
风险声明 (欧洲)	22-36/37/38
危险品运输编码	NONH for all modes of transport

18226-53-4

~67%

5591-70-8

文献：Anwar, Hany Fakhry; Fleita, Daisy Hanna; Kolshorn, Heinz; Meier, Herbert; Elnagdi, Mohamed Hilmy Arkivoc, 2006 , vol. 2006, # 15 p. 133 - 141

5841-70-3

5591-70-8

文献：US4824834 A1, ;

57488-21-8

~95%

5591-70-8

文献：Salaheldin, Abdellatif M.; Alphy, Maryana K. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 2 p. 307 - 310

70205-70-8

~66%

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文献：Velankar, Avdhoot D.; Quintini, Gianluca; Prabhu, Arati; Weber, Alexander; Hunaeus, Gundula; Voland, Britta; Wuest, Monika; Orjeda, Christian; Harel, Dipak; Varghese, Shaji; Gore, Vikas; Patil, Meenal; Gayke, Deepak; Herdemann, Matthias; Heit, Isabelle; Zaliani, Andrea Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 12 p. 4547 - 4559