苄基鸟嘌呤,19916-73-5，生产厂家，价格-洛克化工网移动版

苄基鸟嘌呤

中文名称：: 苄基鸟嘌呤

中文别名：: O-6-苄基鸟嘌呤;
苄基鸟嘌呤;
2-氨基-6-(苄氧基)嘌呤;
2-氨基-6-苄氧基嘌呤

英文名称：: 9H-Purin-2-amine,6-(phenylmethoxy)-

英文别名：: 6-phenylmethoxy-7H-purin-2-amine;
6-(Benzyloxy)-7H-purin-2-amine;
amino-6-(phenylmethoxy)-9H-purine;
O(6)-Benzylguanine;
6-O-Benzylguanine;
O-6-Benzylguanine;
2-Amino-6-(benzyloxy)purine;
6-(phenylmethoxy)-9H-purin-2-amine;
O6-Benzylguanine;
2-Amino-6-benzyloxy-9H-purine;
2-amino-6-(phenylmethoxy)-9H-purine;
O(6)-Bgua;
6-(benzyloxy)guanine

CAS No.：: 19916-73-5

分子式：: C₁₂H₁₁N₅O

分子量：: 241.25

精确分子量：: 241.09600

PSA：: 89.71000

MDL：: MFCD00269931

InChI：: InChI=1/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)3

危险品标志：: Xi

风险术语：: R36/37/38

安全术语：: S26;S36

分子结构式：

SDS：: 查看

苄基鸟嘌呤物化性质

外观与性状：: 淡黄色固体
密度：: 1.431 g/cm3
熔点：: 193(dec.)
沸点：: 621.4ºC at 760 mmHg
闪点：: 329.6ºC
折射率：: 1.743
蒸汽压：: 2.3E-15mmHg at 25°C
存储条件/存储方法：: 密闭于阴凉干燥环境中
稳定性相关：: 遵照规定使用和储存则不会分解。
其它信息：: 1.       性状：固体

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：193

5.       沸点（ºC,常压）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：无可用

8.       闪点（ºC）：无可用

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：溶于甲醇

苄基鸟嘌呤安全信息

海关代码：: 2933990090
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R36/37/38
安全说明：: S26-S36
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：: Xi:Irritant;

苄基鸟嘌呤毒理性

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。

苄基鸟嘌呤 MSDS

Material Safety Data Sheet

Section 1. Identiﬁcation of the substance
  O6-Benzylguanine
    Product Name:
    Synonyms:

Section 2. Hazards identiﬁcation
    Harmful by inhalation, in contact with skin, and 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
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
    P405:        Store locked up

Section 3. Composition/information on ingredients.
    O6-Benzylguanine
    Ingredient name:
    CAS number:        19916-73-5

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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.
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:

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.
    Storage:        Store in closed vessels.

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
    Not speciﬁed
    Appearance:
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula:        C12H11N5O
    Molecular weight:        241.3

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.

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

苄基鸟嘌呤海关数据

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
摘要/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%

苄基鸟嘌呤分子结构与计算化学数据

分子结构数据

1、摩尔折射率：68.20

2、摩尔体积（m³/mol）：168.5

3、等张比容（90.2K）：507.8

4、表面张力（dyne/cm）：82.4

5、极化率（10^-24cm³）：27.03

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:2

3.氢键受体数量:5

4.可旋转化学键数量:3

5.互变异构体数量:9

6.拓扑分子极性表面积89.7

7.重原子数量:18

8.表面电荷:0

9.复杂度:271

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

苄基鸟嘌呤上游产品

6-氯鸟嘌呤苯甲醇 (2-氨基嘌呤-6-基)三甲基氯化铵苯甲基氧化钠

苄基鸟嘌呤下游产品

苄基苯硫酚 2-氨基-6-羟基嘌呤 (1S,2S,3S,5S)-5-(2-氨基-6-苄氧基-9H-嘌呤-9-基)-3-苄氧基-2-苄氧基甲基环戊醇盐酸奈必洛尔