• 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

茚 基本信息

中文名称:
茚 
中文别名:
茚;
2-Hydroxymethyl-5-norbornene;
5-Norborene-2-methanol;
5-norbornene-2-methanol(NMO)mixture of endo and exo;
bicyclo[2.2.1]hept-5-en-2-ylmethanol;
(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-ylmethanol;
5-Norbornene-2-methanol 
英文名称:
Indene
英文别名:
1H-indene;
Indene;
Kylit;
kannit;
XYLITE;
Meso-X;
(1H)-indene;
(+)-xylitol;
Klinit;
XYLIT;
Xilite;
newtol;
eutrit 
CAS No.:
95-13-6
分 子 式:

C9H8

分 子 量:
116.16
精确分子量:
116.06300
PSA:
0.00000
MDL:
MFCD00003777
EINECS:
202-393-6
BRN:
635873
InChI:
InChI=1/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
危险品标志:

风险术语:

R10;R65   

安全术语:

S24/25;

分子结构式:
SDS:
查看

茚 制备方法及用途

制备方法

在高温焦油中,茚含量0.25%-0.3%,主要存在于沸点168-175℃的煤焦油及粗苯馏分中,在200℃以前的重质苯中,古马隆和茚约占40%以上。以重苯为原料在具有44块理论塔板的分馏塔上进行精馏,控制回流比为15-20:1,切取塔顶温度为180.6-181.1℃馏分,含茚可达98%。另一种提取茚的方法,是以重苯和粗溶剂的油为原料,用糠醛作为共沸剂进行共沸蒸馏。由于糠醛或者甲醛能与重苯中烃类组分形成共沸物,但与茚不形成共沸物,因而可制取纯产品。以重苯为原料在具有44块理论塔板的分馏塔上进行精馏,控制回流比为15-20:1,切取塔顶温度为180.6-181.1℃馏分,含茚可达98%。高温下将四氢萘通过SiO2/A12O3也可制得。

合成制备方法

在高温焦油中,茚含量0.25%-0.3%,主要存在于沸点168-175℃的煤焦油及粗苯馏分中,在200℃以前的重质苯中,古马隆和茚约占40%以上。以重苯为原料在具有44块理论塔板的分馏塔上进行精馏,控制回流比为15-20:1,切取塔顶温度为180.6-181.1℃馏分,含茚可达98%。另一种提取茚的方法,是以重苯和粗溶剂的油为原料,用糠醛作为共沸剂进行共沸蒸馏。由于糠醛或者甲醛能与重苯中烃类组分形成共沸物,但与茚不形成共沸物,因而可制取纯产品。

以重苯为原料在具有44块理论塔板的分馏塔上进行精馏,控制回流比为15-20:1,切取塔顶温度为180.6-181.1℃馏分,含茚可达98%。

高温下将四氢萘通过SiO2/A12O3也可制得。

用途简介

除少量用于有机溶剂和杀虫剂的中间体外,主要用于生产茚-古马隆树脂。可与其他液态烃混合作涂料溶剂。

用途

 除少量用于有机溶剂和杀虫剂的中间体外,主要用于生产茚-古马隆树脂。可与其他液态烃混合作涂料溶剂。

茚 物化性质

外观与性状:
淡黄色至橙色液体
密度:
0.996 g/mL at 25 °C(lit.)
熔点:
−5-−3 °C(lit.)
沸点:
181-182 °C(lit.)
闪点:
138 °F
水溶解性:
INSOLUBLE
折射率:
n20/D 1.595(lit.)
存储条件/存储方法:
包装完整、轻装轻放,库房通风、远离明火、高温、与氧化剂分开存放
稳定性相关:

1.本品可燃,遇明火高温有燃烧危险。在空气中易氧化,暴露在空气和日光中能形成聚合物。避免与氧化物、光接触。

2.大鼠可耐受反复六次吸入3.8~4.2mg/L本品而无可见中毒症状。工作场所空气中最大容许浓度为240mg/m3。

3. 存在于烟气中。
 

其它信息:

1.      性状:无色透明油状液体

2.      密度(g/mL,20/4℃):0.9960

3.      相对密度(g/mL,50/4℃):0.9692

4.      熔点(ºC):-2

5.      沸点(ºC,常压):182.44

6.      折射率(18.5ºC):1.5773

7.      折射率(n20ºC):1.5764

8.      闪点(ºC):58

9.      溶解性:不溶于水,可溶于乙醇、乙醚、丙酮、苯、吡啶等有机溶剂。

10.   相对密度(25℃,4℃):0.9949

11.  常温折射率(n25):1.5737

12.  溶度参数(J·cm-3)0.5:20.467

13.  van der Waals面积(cm2·mol-1):7.930×109

14.  van der Waals体积(cm3·mol-1):68.890

15.  气相标准燃烧热(焓)(kJ·mol-1):-4848.3

16.  气相标准声称热(焓)( kJ·mol-1) :163.4

17.  气相标准熵(J·mol-1·K-1) :334.04

18.  气相标准生成自由能( kJ·mol-1):235.1

19.  气相标准热熔(J·mol-1·K-1):124.31

20.  液相标准燃烧热(焓)(kJ·mol-1):-4795.5

21.  液相标准声称热(焓)( kJ·mol-1):110.6

22.  液相标准熵(J·mol-1·K-1) :214.18

23.  液相标准生成自由能( kJ·mol-1):217.8

24.  液相标准热熔(J·mol-1·K-1):186.94

茚 安全信息

包装等级:
III
风险类别:
3
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R10;R65
安全说明:
S23-S24/25-S62
RTECS号:
NK8225000
安全标志:
S23:不要吸入蒸汽。
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn:Harmful;

茚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK8225000
CHEMICAL NAME :
Indene
CAS REGISTRY NUMBER :
95-13-6
LAST UPDATED :
199712
DATA ITEMS CITED :
25
MOLECULAR FORMULA :
C9-H8
MOLECULAR WEIGHT :
116.17
WISWESSER LINE NOTATION :
L56 BHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 gm/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 41(4),104,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 41(4),104,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 41(4),104,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 mg/m3/24H/15W-C
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 41(4),104,1976 *** REVIEWS *** ACGIH TLV-TWA 48 mg/m3 (10 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 10 ppm (45 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,134,1971 OSHA PEL (Construc):8H TWA 10 ppm (45 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 10 ppm (45 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 10 ppm (45 mg/m3) JAN 1993 OEL-BELGIUM:TWA 10 ppm (48 mg/m3) JAN 1993 OEL-DENMARK:TWA 10 ppm (45 mg/m3) JAN 1993 OEL-FINLAND:TWA 10 ppm (47 mg/m3);STEL 20 ppm (95 mg/m3) JAN 1993 OEL-FRANCE:TWA 10 ppm (45 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 10 ppm (45 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 10 ppm (45 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 10 ppm (45 mg/m3);STEL 15 ppm (70 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO INDENE-air:10H TWA 10 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 39820 No. of Facilities: 3158 (estimated) No. of Industries: 24 No. of Occupations: 42 No. of Employees: 61824 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 39820 No. of Facilities: 31 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 753 (estimated) No. of Female Employees: 376 (estimated)
毒理学数据:

1、 急性毒性:大鼠经吸入LC50:14mg/m3;大鼠LD50:2300mg/kg;小鼠LD50:1800mg/kg;哺乳动物经口LD50:>5mg/kg;

2、多剂量毒性:大鼠经吸入TCLo:3mg/ m3/24H/15W-C;
生态数据:

对水是不危害的。

茚 MSDS

Name: Indene Tech. 90% Material Safety Data Sheet
Synonym: None
CAS: 95-13-6
Section 1 - Chemical Product   MSDS Name:Indene Tech. 90% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
95-13-6 Indene >90 202-393-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
May cause liver and kidney damage. May cause digestive tract disturbances.
Inhalation:
May cause respiratory tract irritation.
Chronic:
May cause liver and kidney damage. Repeated exposure may cause sensitization dermatitis.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 95-13-6: United Kingdom, WEL - TWA: 10 ppm TWA; 48 mg/m3 TWA United Kingdom, WEL - STEL: 15 ppm STEL; 72 mg/m3 STEL Belgium - TWA: 10 ppm VLE; 49 mg/m3 VLE France - VME: 10 ppm VME; 45 mg/m3 VME Germany: 45 mg/m3 TWA Malaysia: 10 ppm TWA; 48 mg/m3 TWA Netherlands: 10 ppm MAC; 45 mg/m3 MAC Spain: 10 ppm VLA-ED; 48 mg/m3 VLA-ED 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. 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: Liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: 1.7 hPa @ 20 C
Viscosity: Not available.
Boiling Point: 181 deg C @ 760.00mm Hg
Freezing/Melting Point: -1.8 deg C
Autoignition Temperature: Not available.
Flash Point: 78 deg C ( 172.40 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: .9920g/cm3
Molecular Formula: C9H8
Molecular Weight: 116.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Oxidizes when exposed to air. Stable. However may polymerize explosively if heated to the melting point.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to air, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 95-13-6: NK8225000 LD50/LC50:
CAS# 95-13-6: Inhalation, rat: LC50 = 14 gm/m3; Inhalation, rat: LC50 = 14000 mg/m3/4H.
Carcinogenicity:
Indene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

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# 95-13-6: No information available.
Canada
CAS# 95-13-6 is listed on Canada's DSL List.
CAS# 95-13-6 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95-13-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

茚 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:38.03

2、   摩尔体积(cm3/mol):111.8        

3、   等张比容(90.2K):284.8

4、   表面张力(dyne/cm):42.1

5、   介电常数:2.77

6、   偶极距(10-24cm3):无此用

7、   极化率:15.07

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:9

8.表面电荷:0

9.复杂度:124

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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天门恒昌化工有限公司

产品介绍:
产品名称:茚 95-13-6 Cas号:95-13-6 纯度:99% 包装信息:25kg纸板桶/编织袋/塑料桶 价格:25.0元
联系方式:
联系人:黄经理 电话:027-59322316 手机:15827039378

湖北广奥生物科技有限公司

产品介绍:
产品名称: Cas号:95-13-6 纯度:99% 包装信息:1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶,200kg镀锌铁桶/塑料桶,1t吨袋 价格:1.0元 - 1,000.0元
联系方式:
联系人:孙经理 电话:027-59223056 手机:15271829679

特斯科化工(湖北)有限公司

产品介绍:
产品名称: Cas号:95-13-6 纯度:99% 包装信息:1kg瓶,25kg桶,200kg桶 价格:洽谈
联系方式:
联系人:郑先生 电话:18971353902 手机:18971353902

武汉卡诺斯科技有限公司

产品介绍:
产品名称: Cas号:95-13-6 纯度:99%以上 包装信息:1kg,5kg,15kg,25kg,200kg 价格:25.0元 - 164.0元
联系方式:
联系人:尚文 电话:153-37111468 手机:15337111468

湖北万得化工有限公司

产品介绍:
产品名称: Cas号:95-13-6 纯度:99% 包装信息:1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶,200kg镀锌铁桶/塑料桶,1t吨袋 价格:1.0元 - 1,000.0元
联系方式:
联系人:王念 电话:027-59210159 手机:15172311821