1,2-二氢苯并[b]呋喃-5-异氰酸酯

1,2-二氢苯并[b]呋喃-5-异氰酸酯 基本信息
CAS号 215162-92-8 分子式 C9H7NO2
分子量 161.15700 精确质量  161.04800
PSA  38.66000 LogP  1.58880

基本信息 展开↓

CAS号:
215162-92-8
3D弹球模型:
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分子式:
C9H7NO2
分子量:
161.15700
中文名称:
1,2-二氢苯并[b]呋喃-5-异氰酸酯
英文名称:
5-isocyanato-2,3-dihydro-1-benzofuran
中文别名:
1,2-二氢苯并[b]呋喃-5-异氰酸酯;
2,3-二氢苯并[B]呋喃-5-异氰酸酯;
2,3-二氢-1-苯并呋喃-5-异氰酸酯;
2,3-二氢苯并呋喃-5-异氰酸酯
英文别名:
5-isocyanato-2,3-dihydro-1-benzofuran;
2,3-DICHLORO-3'-PIPERIDINOMETHYL BENZOPHENONE;
2,3-dihydro-1-benzofuran-5-yl isocyanate;
2,3-Dihydrobenzo[b]furan-5-isocyanate;
2,3-dihydrobenzofuran-5-yl isocyanate;
2,3-dihydrobenzo[b]furan-5-yl isocyanate;
5-Isocyanato-2,3-dihydrobenzofuran;
5-isocyanato-2,3-dihydrobenzofuran
精确分子量/精确质量:
161.04800
极性分子表面积/PSA:
38.66000
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:
InChI=1/C9H7NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-2,5H,3-4H2

物化性质展开↓

密度:
1.25g/cm3
熔点:
42ºC
沸点:
130-132ºC 3mm
闪点:
142.5ºC
折射率:
1.602
蒸汽压:
0.004mmHg at 25°C
其它信息:

1.      性状:未确定

2.      密度(g/mL):未确定

3.      相对蒸汽密度(g/mL,空气=1)未确定

4.      熔点(ºC):42

5.      沸点(ºC,常压):未确定

6.      沸点(ºC3mmHg):130-132

7.      折射率:未确定

8.      闪点(º F):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2932999099
危险类别码:
20/21/22-36/37/38
安全说明:
26-36/37/39
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。
:

MSDS 展开↓

Name: 2 3-Dihydro-1-benzofuran-5-yl isocyanate Material Safety Data Sheet
Synonym: None
CAS: 215162-92-8
Section 1 - Chemical Product   MSDS Name:2 3-Dihydro-1-benzofuran-5-yl isocyanate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
215162-92-8 2,3-Dihydro-1-benzofuran-5-yl isocyana 97 unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
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.
Organic isocyanates can cause local irritation and allergic reactions.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Chronic overexposure to isocyanates has been reported to cause lung damage, including decreased lung fuction, which may be permanent.

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.
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. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing dust. Isocyanates react with water to form CO2 gas. This gas can cause sealed containers to expand and possibly rupture.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 215162-92-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: white
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 130 - 132 deg C @ 3 mmHg
Freezing/Melting Point: 39.6 - 41 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: C9H7NO2
Molecular Weight: 161.00

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Dust generation, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 215162-92-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydro-1-benzofuran-5-yl isocyanate - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
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 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# 215162-92-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 215162-92-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 215162-92-8 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:2932999099

概述:
2932999099. 其他仅含氧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
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):2.7

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积38.7

7.重原子数量:12

8.表面电荷:0

9.复杂度:211

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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