3-氨基异恶唑

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

3-氨基异恶唑 基本信息

中文名称:
3-氨基异恶唑 
中文别名:
1,2-苯并异恶唑-3-胺;
1,2-苯并异唑-3-胺;
3-氨基-1,2-苯并异恶唑 
英文名称:
1,2-Benzisoxazol-3-amine
英文别名:
1,2-benzoxazol-3-amine;
Benzo[d]isoxazol-3-amine;
1,2-Benzoisoxazol-3-amine;
3-amino-benzoisoxazole;
benz[d]isoxazol-3-ylamine;
1,2-Benzisoxazol-3-amine;
F1935-0009;
benzo[d]isoxazol-3-ylamine;
3-amino-1,2-benzisoxazole;
3-aminobenzisoxazole;
benzo[d]isoxazole-3-ylamine 
CAS No.:
36216-80-5
分 子 式:
C7H6N2O
分 子 量:
134.13
精确分子量:
134.04800
PSA:
52.05000
MDL:
MFCD03407353
InChI:
The Key: NLMVYUBGWZWUGB-UHFFFAOYSA-N
危险品标志:
Xi:Irritant
风险术语:
R36/37/38;
安全术语:
S26; S37/39;
分子结构式:
SDS:
查看

3-氨基异恶唑 物化性质

熔点:
110 °C
其它信息:

1.熔点(760 mmHg,ºC):108-109

3-氨基异恶唑 安全信息

海关代码:
2934999090
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39-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;

3-氨基异恶唑 MSDS

Name: 1 2-Benzisoxazol-3-amine 97% Material Safety Data Sheet
Synonym:
CAS: 36216-80-5
Section 1 - Chemical Product   MSDS Name:1 2-Benzisoxazol-3-amine 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
36216-80-5 1,2-Benzisoxazol-3-amine 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# 36216-80-5: 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: Crystals
Color: brown
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 108 - 109 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: C7H6N2O
Molecular Weight: 134.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 36216-80-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-Benzisoxazol-3-amine - 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# 36216-80-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 36216-80-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 36216-80-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氨基异恶唑 海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-氨基异恶唑 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:38.72

2、  摩尔体积(cm3/mol):101.8

3、  等张比容(90.2K):285.0

4、  表面张力(dyne/cm):61.3

5、  极化率(10-24cm3):15.35

计算化学数据

1.疏水参数计算参考值(XlogP):1.4

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积52

7.重原子数量:10

8.表面电荷:0

9.复杂度:129

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

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