2,3-二氢苯并呋喃-5-甲酸

2,3-二氢苯并呋喃-5-甲酸 基本信息
CAS号 76429-73-7 分子式 C9H8O3
分子量 164.15800 精确质量  164.04700
PSA  46.53000 LogP  1.31970

基本信息 展开↓

CAS号:
76429-73-7
3D弹球模型:
立即前往扯扯看
分子式:
C9H8O3
分子量:
164.15800
中文名称:
2,3-二氢苯并呋喃-5-甲酸
英文名称:
2,3-Dihydrobenzofuran-5-carboxylic acid
中文别名:
2,3-二氢苯并呋喃-5-甲酸;
2,3-二氢苯并[B]呋喃-5-甲酸;
2,3-二氢苯并呋喃-5-羧酸
英文别名:
2,3-Dihydrobenzofuran-5-carboxylic acid;
2,3-dihydro-1-benzofuran-5-carboxylic acid
精确分子量/精确质量:
164.04700
极性分子表面积/PSA:
46.53000
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/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)

物化性质展开↓

密度:
1.345g/cm3
熔点:
185 °C
沸点:
336.553ºC at 760 mmHg
闪点:
142.445ºC
折射率:
1.61
其它信息:

1.      性状:。

2.      密度(g/mL,25/4):

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):

6.      沸点(ºC,5.2kPa):未确定

7.      折射率:未确定

8.      闪点(ºC):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:。

安全信息展开↓

海关代码:
2932999099
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39-S22
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 90843-31-5

    5-乙酰基-2,3-二氢苯并[b]呋喃

  • ~94%

  • 76429-73-7

    2,3-二氢苯并呋喃-5-甲酸

  • 496-16-2

    2,3-二氢苯并呋喃

  • 76429-73-7

    2,3-二氢苯并呋喃-5-甲酸

  • 124-38-9

    二氧化碳

  • +

  • 76429-66-8

    2,4-Dibromo-1-(2-bromoethoxy)benzene

  • 76429-73-7

    2,3-二氢苯并呋喃-5-甲酸

MSDS 展开↓

Name: 2 3-Dihydrobenzo[b]furan-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 76429-73-7
Section 1 - Chemical Product   MSDS Name:2 3-Dihydrobenzo[b]furan-5-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
76429-73-7 2,3-Dihydrobenzo[b]furan-5-carboxylic 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 76429-73-7: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 194 - 197 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: C9H8O3
Molecular Weight: 164

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 76429-73-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydrobenzo[b]furan-5-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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 76429-73-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 76429-73-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 76429-73-7 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↓

分子结构数据


1  摩尔折射率:42.35

2  摩尔体积(m3/mol):122.0

3  等张比容(90.2K):340.1

4  表面张力(dyne/cm):60.2

5极化率(10-24cm3):16.78

计算化学数据


1.疏水参数计算参考值(XlogP):1.5

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积46.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:190

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

上下游相关产品

上游产品

更多
  • 90843-31-5

    5-乙酰基-2,3-二氢苯并[b]呋喃

  • 615-58-7

    2,4-二溴苯酚

  • 124-38-9

    二氧化碳

  • 76429-66-8

    2,4-Dibromo-1-(2-bromoethoxy)benzene

  • 496-16-2

    2,3-二氢苯并呋喃

下游产品

更多
  • 90721-27-0

    1-苯并呋喃-5-甲酸

  • 588702-80-1

    2,3-二氢-5-苯并呋喃羧酸甲酯

  • 103262-35-7

    2,3-二氢-1-苯并呋喃-5-甲醇

  • 108763-47-9

    苯并呋喃-5-甲酸甲酯

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便