874-05-5 (1H-吲唑-3-胺,1H-Indazol-3-amine)

CAS号:
874-05-5
中文名称:
1H-吲唑-3-胺
英文名称:
1H-Indazol-3-amine
分子式:
C7H7N3
分子量:
133.150580644608
相关分类:

1H-吲唑-3-胺(874-05-5)名称与标识符

名称

中文别名:
1H-吲唑-3-胺;3-氨基吲唑;3-氨基-1H-吲哚;3-氨基-1H-吲唑;3-氨基-6-氯-1H-吲唑;
英文别名:
1H-indazol-3-amine;3-Amino-1H-indazole;1H-INDAZOL-3-YLAMINE;3-AMINOINDAZOLE;3-Indazolamine;2H-Indazol-3-amine;1H-Indazole, 3-amino-;aminoindazole;Amino-indazole;NSC44677;1H-indazole-3-ylamine;YDTDKKULPWTHRV-UHFFFAOYSA-N;INDAZOL-3-AMINE;indazole amine;3nus;3-amino benzpyrazole;PubChem11848;NCIStruc2_000161;NCIStruc1_001630;Oprea1_470192;MLS001001985;D;1H-Indazole, 3-amino- (6CI, 7CI, 8CI);NSC 348887;NSC 44677;874-05-5;US11661426, Compound 353a;MB69235;SCHEMBL14041182;NSC-44677;NCGC00096649-01;BBL104359;NSC348887;DTXSID5061243;CHEMBL1331627;doi:10.14272/YDTDKKULPWTHRV-UHFFFAOYSA-N.1;JNZ;CCG-302505;DB-351708;NCI60_004031;J-504673;Q27182567;1h-indazole-3-amine;1H-Indazol-3-amine, AldrichCPR;10.14272/YDTDKKULPWTHRV-UHFFFAOYSA-N.1;DB-005098;AKOS006222497;BDBM604504;DA-26181;NSC 348887; NSC 44677;MFCD00182045;1H-Indazol-3-ylamine; 3-Amino-1H-indazole; 3-Aminoindazole; 3-Indazolamine;;BDBM50339013;CHEBI:104899;10P-212;SCHEMBL5299723;Z56820416;DTXCID2048583;SB39259;AR2288;EN300-02352;HMS2604G05;SCHEMBL18878;BP-10432;ALBB-028239;1H-Indazol-3-amine, monohydrochloride;NCGC00013536-02;CS-W002482;NCGC00013536;1,2-dihydro-3H-indazol-3-imine;NCI44677;54107-84-5;STL414950;CCG-37665;NSC-348887;SMR000353333;SY007051;AE-413/25046004;BCP27432;AKOS000115531;

标识符

MDL:
MFCD00182045
InChIKey:
YDTDKKULPWTHRV-UHFFFAOYSA-N
Inchi:
1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
SMILES:
N1=C(N)C2C(=CC=CC=2)N1

1H-吲唑-3-胺(874-05-5)物化性质

实验特性

  • LogP : 1.72630
  • PSA : 54.70000
  • 折射率 : 1.78
  • 沸点 : 376.6°C at 760 mmHg
  • 熔点 : 150-152 °C
  • 闪点 : 209.5℃
  • 颜色与性状 : Pale-yellow to Yellow-brown Solid
  • 密度 : 1.367 g/cm3

计算特性

  • 精确分子量 : 133.06400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 133.064
  • 重原子数量 : 10
  • 复杂度 : 126
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 互变异构体数量 : 13
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 54.7

1H-吲唑-3-胺(874-05-5)安全信息

1H-吲唑-3-胺(874-05-5)国际标准相关数据

EINECS:
44677

1H-吲唑-3-胺(874-05-5)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 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

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-吲唑-3-胺(874-05-5)推荐厂家 更多厂家(42)

公司名称手机号/电话联系人QQ微信询单
北京百灵威科技有限公司 18210857532翟先生 3650742139
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上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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郑州阿尔法化工有限公司 15324716602
0371-55013243
刘经理 2853979810
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湖北方德新材料有限公司 18086096695邱经理 1462312301
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JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
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上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
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武汉鑫伟烨化工有限公司 18502781673
027-18502781673
张经理 359501377
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铼博(上海)生化科技有限公司 13311756052
021-60536361 13311756052 13311756131
张经理 2851717387
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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1H-吲唑-3-胺(874-05-5)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis and oxidation of 1,3-diamino- and 1-amino-3-azidoindazoles
Dyablo, O. V.; Pozharskii, A. F.; Kuz'menko, V. V.; Kolesnichenko, M. A., Chemistry of Heterocyclic Compounds (New York, 2001, 37(5), 567-573
合成路线:1 步
反应条件:
参考文献:
Synthesis and Structure-Activity Relationships of Indazole Arylsulfonamides as Allosteric CC-Chemokine Receptor 4 (CCR4) Antagonists
Procopiou, Panayiotis A.; Barrett, John W.; Barton, Nicholas P.; Begg, Malcolm; Clapham, David; et al, Journal of Medicinal Chemistry, 2013, 56(5), 1946-1960
合成路线:1 步
反应条件:
参考文献:
Two-Step Synthesis of Substituted 3-Aminoindazoles from 2-Bromobenzonitriles
Lefebvre, Valerie; Cailly, Thomas; Fabis, Frederic; Rault, Sylvain, Journal of Organic Chemistry, 2010, 75(8), 2730-2732
合成路线:1 步
反应条件:
参考文献:
3-[(Imidazolidin-2-yl)imino]indazole ligands with selectivity for the α2-adrenoceptor compared to the imidazoline I1 receptor
Saczewski, Franciszek; Kornicka, Anita; Hudson, Alan L.; Laird, Shayna; Scheinin, Mika; et al, Bioorganic & Medicinal Chemistry, 2011, 19(1), 321-329

1H-吲唑-3-胺(874-05-5)上下游

1H-吲唑-3-胺(874-05-5)相关文献

1H-吲唑-3-胺(874-05-5)参考资料

Beilstein:
MFCD00182045
PubChem CID:

1H-吲唑-3-胺(874-05-5) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      1H-Indazol-3-amine    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H301:        Toxic if swallowed    
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    Avoid breathing dust/fume/gas/mist/vapours/spray
    P261:
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P301+P310:        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    Ingredient name:        1H-Indazol-3-amine    
    CAS number:        874-05-5    

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    
    ?ushing of the eyes by separating the eyelids with ?ngers. 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 ?ghting measures
    In the event of a ?re 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 quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    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 speci?ed    
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C7H7N3
    Molecular weight: 133.2

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

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
    UN Number:        UN2811        Class: 6.1        Packing group: III    
    Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (1H-Indazol-3-amine)

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