1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯,20481-15-6，生产厂家，价格-洛克化工网移动版

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯

中文名称：: 1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯

中文别名：: 1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯;
1,3-二甲基-4-氯-1H-吡唑并[3,4-b]吡啶-5-甲酸乙酯;
2-Bromo-2-methylpropanoyl chloride;
2-Bromo-2-methylpropionyl chloride;
a-Bromoisobutyric acid chloride;
a-Bromoisobutyryl chloride;
α-bromoisobutyric acid chloride;
2-Bromoisobutyrylchloride;
Propanoyl chloride, 2-bromo-2-methyl-;
AI3-16502;
NSC 76003;
1-Pentanol, 5-chloro-, acetate;
4,4'-Methylene-bis(2-ethylaniline);
N-(4-fluorophenyl)glycine;
L-4-Fluorophenylglycine;
6-hydr

英文名称：: 1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester

英文别名：: ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate;
Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine 5-carboxylate;
ethyl 4-chloro-5,7-dimethylpyrazolo[3,4-b]pyridine-3-carboxylate;
4-Chloro-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylic Acid Ethyl Ester;
5-carbethoxy-4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine;
Ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

CAS No.：: 20481-15-6

分子式：: C₁₁H₁₂ClN₃O₂

分子量：: 253.68

精确分子量：: 253.06200

PSA：: 57.01000

MDL：: MFCD00067954

InChI：: InChI=1/C11H12ClN3O2/c1-4-17-11(16)7-5-13-10-8(9(7)12)6(2)14-15(10)3/h5H,4H2,1-3H33

危险品标志：

风险术语：: 36/37/38

安全术语：

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36/37/39
Hazard Note	Irritant

分子结构式：

SDS：: 查看

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯物化性质

密度：: 1.38g/cm3
熔点：: 89-90ºC
沸点：: 356ºC at 760 mmHg
闪点：: 169.1°C
折射率：: 1.62
蒸汽压：: 3E-05mmHg at 25°C
其它信息：: 1. 熔点（ºC）：89～90

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯安全信息

海关代码：: 2933990090
危险类别码：: R36/37/38
安全说明：: S26-S37/39
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。
:
危险标志：: Xi: Irritant;

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯 MSDS

Name:	Ethyl 4-chloro-1 3-dimethyl-1H-pyrazolo[3 4-b]pyridine-5-carboxylate Material Safety Data Sheet
Synonym:
CAS:	20481-15-6

Section 1 - Chemical Product MSDS Name:Ethyl 4-chloro-1 3-dimethyl-1H-pyrazolo[3 4-b]pyridine-5-carboxylate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
20481-15-6	Ethyl 4-chloro-1,3-dimethyl-1H-pyrazol	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 20481-15-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 89 - 90 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H12ClN3O2
Molecular Weight: 254

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 20481-15-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 20481-15-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 20481-15-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20481-15-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯海关数据

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%

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯分子结构与计算化学数据

分子结构数据

1、摩尔折射率：64.48

2、摩尔体积（cm³/mol）：183.3

3、等张比容（90.2K）：474.2

4、表面张力（dyne/cm）：44.7

5、极化率（10-24cm3）：25.56

计算化学数据

1.疏水参数计算参考值（XlogP）:2.1

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积57

7.重原子数量:17

8.表面电荷:0

9.复杂度:302

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

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯上游产品

2-{[(1,3-二甲基-1H-吡唑-5-基)氨基]亚甲基}丙二酸二乙酯 1,3-二甲基-1氢-吡唑-5-胺乙氧基甲叉丙二酸二乙酯

1,3-二甲基-4-氯-1H-吡唑[3,4-B]并吡啶-5-甲酸乙酯下游产品

4-氯-1,3-二甲基吡唑并[3,4-B]吡啶-5-羰酰氯 4-氯-1,3-二甲基-1H-吡唑3,4-吡啶-5-羧酸 1,6,8-三甲基-1,2,3,6-四氢二吡唑并[3,4-b:3,4-d]吡啶-3-酮