1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸

1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸 基本信息
CAS号 54698-60-1 分子式 C11H11N3O2
分子量 217.22400 精确质量  217.08500
PSA  68.01000 LogP  1.33300

基本信息 展开↓

CAS号:
54698-60-1
3D弹球模型:
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分子式:
C11H11N3O2
分子量:
217.22400
中文名称:
1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸
英文名称:
1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
中文别名:
1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸;
1-苄基-5-甲基-1H-[1,2,3]噻唑-4-羧酸
英文别名:
1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid;
1-benzyl-5-methyltriazole-4-carboxylic acid
精确分子量/精确质量:
217.08500
极性分子表面积/PSA:
68.01000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: WIULYDQJIFTHIK-UHFFFAOYSA-N

物化性质展开↓

密度:
1.3 g/cm3
熔点:
170ºC
沸点:
455ºC at 760 mmHg
闪点:
228.9ºC
折射率:
1.636

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 590-93-2

    2-丁炔酸

  • +

  • 622-79-7

    苄基叠氮

  • ~68%

  • 54698-60-1

    1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸

  • 133992-58-2

    1-苄基-5-甲基-1H-1,2,3-噻唑-4-羧酸乙酯

  • 54698-60-1

    1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸

MSDS 展开↓

Name: 1-Benzyl-5-methyl-1H-[1 2 3-]triazole-4-carboxylic acid Material Safety Data Sheet
Synonym:
CAS: 54698-60-1
Section 1 - Chemical Product   MSDS Name:1-Benzyl-5-methyl-1H-[1 2 3-]triazole-4-carboxylic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54698-60-1 1-Benzyl-5-methyl-1H-[1,2,3-]triazole- 97+% unlisted
Hazard Symbols: F
Risk Phrases: 11 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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:

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. Exposure to heat may promote violent decomposition.
Flammable solid.
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:
Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 54698-60-1: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 169 - 170 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: C11H11N3O2
Molecular Weight: 217.23

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 54698-60-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Benzyl-5-methyl-1H-[1,2,3-]triazole-4-carboxylic acid - 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
Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.*
Hazard Class: 4.1 (6.1)
UN Number: 2926
Packing Group: III
IMO
Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.
Hazard Class: 4.1 (6.1)
UN Number: 2926
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.
Hazard Class: 4.1 (6.1)
UN Number: 2926
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 54698-60-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54698-60-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54698-60-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

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