芴

芴 基本信息
CAS号 86-73-7 分子式 C13H10
分子量 166.21800 精确质量 　166.07800
PSA 　0.00000 LogP 　3.25780
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
86-73-7
3D弹球模型：
立即前往扯扯看
分子式：
C13H10
分子量：
166.21800
中文名称：
芴
英文名称：
fluorene
中文别名：
芴;
次联苯甲酮;
9H-芴;
二苯并五环;
二亚苯基甲烷;
2,2'-亚甲基联苯;
邻亚联苯基甲烷;
茀(二次苯基甲烷);
茀;
精芴;
茐;
2-Chlorothioxanthone;
Photoinitiator-CTX;
2-Chlorothioxanthen-9-one;
2-Naphthol, 1-((p-(phenylazo)phenyl)azo)-;
4-16-00-00248 (Beilstein Handbook Reference);
AI3-02854;
Atul Oil Red G;
BRN 0931185;
Benzeneazobenzeneazo-beta-naphthol;
Brasilazina Oil Scarlet;
CCRIS 7074;
Cerasin Red;
Cerasinrot;
Cerotinscharlach R;
Certiqual Oil Red;
Cerven rozpoustedlova 23;
Cerven rozpoustedlova 23 [Czech];
D and C Red No. 17;
EINECS 201-638-4;
FD and C Red No. 17;
Fast Oil Scarlet III;
Fat Red (bluish);
Fat Red HRR;
Fat Red R;
Fat Red RS;
Fat Red RS (VAN);
Fat Red, Bluish (VAN);
Fat Scarlet LB;
Fat Soluble Red ZH;
Fettponceau G;
Fettrot;
Fettscharlach;
Fettscharlach LB;
Grasal Brilliant Red G;
Grasan Brilliant Red G;
Japan Red 225;
Motirot 2R;
NSC 65825;
Oil Red;
Oil Red 3G;
Oil Red 6;
Germalgene;
Tri-Clene;
Trielene;
Trilene;
Trichloran;
Trichloren;
Algylen;
Trimar;
Triline;
Trethylene;
Trichlorathane;
Trichloroethylene (TCE);
Trichloroethylene;
astreptine;
astrocid;
AVC;
Bacteramid;
bactesid;
aniline-p-sulfonic amide;
dip
英文别名：
fluorene;
diphenylenemethane;
o-biphenylenemethane;
Fluorene;
N-Boc-L-Ser-NHOBn
精确分子量/精确质量：
166.07800
极性分子表面积/PSA：
0.00000
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。
贝尔斯坦号/MDL：
MFCD00001111
EINECS：
201-695-5
PubChem：
24847846
BRN：
1363491
InChI：
InChI=1/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2

生产制备方法及用途展开↓

制备方法

1. 在高温焦油中的芴约含1.0-2.0%。从洗油馏分中切取290-310℃的芴馏分段,用相当于115块理论塔板的蒸馏塔进行精密分馏,回流比为15:1,切取292-302℃窄馏分。通过冷却,结晶,离心分离,得到粗芴,再用1:25的苯或二甲苯重结晶,则得工业芴。将工业芴溶于苯中,用40%的硫酸洗涤,再经中和水洗,脱溶,将芴重新蒸馏,馏出物用汽油和乙醇重结晶,得纯度为95%的纯芴。 2. 在三氯化铁的催化作用下,联苯与二氯甲烷反应制得。

合成制备方法

1. 在高温焦油中的芴约含1.0-2.0%。从洗油馏分中切取290-310℃的芴馏分段，用相当于115块理论塔板的蒸馏塔进行精密分馏，回流比为15：1，切取292-302℃窄馏分。通过冷却，结晶，离心分离，得到粗芴，再用1：25的苯或二甲苯重结晶，则得工业芴。将工业芴溶于苯中，用40%的硫酸洗涤，再经中和水洗，脱溶，将芴重新蒸馏，馏出物用汽油和乙醇重结晶，得纯度为95%的纯芴。

2. 在三氯化铁的催化作用下，联苯与二氯甲烷反应制得。

用途简介

是合成医药、农药、染料、工程塑料的原料。

用途

用作有机合成原料。可制成三硝基芴酮，用于静电复印；合成芳基透明尼龙；可代替蒽醌合成阴丹士林染料；用于制造抗痉挛药、镇静药，镇痛药，降血压药；合成杀虫剂，除草剂；制备抗冲击有机玻璃和芴醛树脂；亦可用作湿润剂，洗涤剂，液体闪光剂，消毒剂等。

 

物化性质展开↓

外观与性状：
白色片
密度：
1.2
熔点：
111-114 °C(lit.)
沸点：
298 °C(lit.)
闪点：
151 °C
水溶解性：
insoluble
折射率：
1.645
存储条件/存储方法：

本品应密封于阴凉处保存。本品用塑料袋装。

稳定性相关：

1. 本品有毒，小鼠腹腔注入ＬＤ５０２６０ｍｇ／ｋｇ。操作人员应穿戴防护用具。

2. 存在于烟气中。

3. 在高真空中易升华。

其它信息：

1.     性状：白色小片状结晶，不纯时有荧光

2.     密度（g/mL,25/4℃）：1.203

3.     相对密度（20℃，4℃）：1.208

4.     熔点（ºC）：114.77

5.     沸点（ºC,常压）：294℃

6.     溶度参数(J·cm-3)0.5：21.646

7.     van der Waals面积（cm2·mol-1）：1.019×1010

8.     闪点（ºC）：151℃

9.     van der Waals体积（cm3·mol-1）：93.670

10.   自燃点或引燃温度（ºC）：不确定

11.   蒸气压（kPa,25ºC）：不确定

12.   饱和蒸气压（kPa,60ºC）：不确定

13.   燃烧热（KJ/mol）：不确定

14.   临界温度（ºC）：不确定

15.   临界压力（KPa）：不确定

16.   油水（辛醇/水）分配系数的对数值：不确定

17.   爆炸上限（%,V/V）：不确定

18.   爆炸下限（%,V/V）：不确定

19.   溶解性：不溶于水，溶于乙醇、乙醚、苯、二硫化碳等有机溶剂

 

安全信息展开↓

包装等级：
III
风险类别：
9
海关代码：
2902909090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R50/53
安全说明：
S60-S61-S24/25-S45-S36/37-S16-S7-S62-S33-S24-S22
RTECS号：
LL5670000
安全标志：
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志：
Xi: Irritant;Xn: Harmful;T: Toxic;F: Flammable;N: Dangerous for the environment;

合成路线查看所有的合成路线

  • 56954-90-6

    2-(9H-fluoren-9-yl)propan-2-ol

  • →

    ~99%

  • 86-73-7

    芴

  • +

  • 486-25-9

    9-芴酮

  • 52652-40-1

    1,4,4a,9a-tetrahydro-fluorene

  • +

  • 95-13-6

    茚

  • →

    ~98%

  • 86-73-7

    芴

  • +

  • 496-11-7

    茚满

  • 1940-57-4

    9-溴芴

  • →

    ~97%

  • 86-73-7

    芴

  • +

  • 21713-63-3

    [benzyl(methoxy)phosphoryl]methylbenzene

化学图谱

  1. 芴质谱(MS)

  2. 芴核磁图(13CNMR)

  3. 芴核磁图(1HNMR)

  4. 芴红外图谱(IR1)

  5. 芴红外图谱(IR2)

  6. 芴红外图谱(IR3)

  7. 芴Raman光谱

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LL5670000
CHEMICAL NAME :
Fluorene
CAS REGISTRY NUMBER :
86-73-7
LAST UPDATED :
199710
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C13-H10
MOLECULAR WEIGHT :
166.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
25 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 259,103,1991 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 32,365,1983 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 32,365,1983 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3867 No. of Facilities: 227 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 2912 (estimated) No. of Female Employees: 1504 (estimated)
毒理学数据：

1、急性毒性：

小鼠腹腔LD50：>2mg/kg；

2、  致畸性

小鼠淋巴细胞：19500 nmol/L；小鼠乳腺：1 ug/L；

小鼠淋巴细胞：150umol/L；小鼠肺：25mg/L；

MSDS 展开↓

Name: Fluorene 98% Material Safety Data Sheet
Synonym: 9H-Fluorene; o-Biphenylenemethane; Diphenylenemethane; 2,2'-Methylenebiphenyl
CAS: 86-73-7
Section 1 - Chemical Product   MSDS Name:Fluorene 98% Material Safety Data Sheet
Synonym:9H-Fluorene; o-Biphenylenemethane; Diphenylenemethane; 2,2'-Methylenebiphenyl
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
86-73-7 Fluorene 98 201-695-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 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:
Vacuum or sweep up material and place into a suitable disposal container. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Do not let this chemical enter the environment.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid breathing dust.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
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# 86-73-7: 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: Flakes
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 298 deg C
Freezing/Melting Point: 112-116 deg C
Autoignition Temperature: Not available.
Flash Point: 151 deg C ( 303.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble.
Specific Gravity/Density: 1.2
Molecular Formula: C13H10
Molecular Weight: 166.22
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 86-73-7: LL5670000 LD50/LC50:
Not available.
Carcinogenicity:
Fluorene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish toxicity :LC50 (48hr) fathead minnow > 100mg/l (Finger, S.E. et al ASTM Spec. Tech. Publ. 865 1985); LC50 (24hr) bluegill sunfish, goldfish +/-5mg/l (Wood, E.M. The toxicity of 3400 chemicals to fish 1987); LC50 (unspecified exposure) himedaka killifish 3,3mg/l (Niiromi, J. et al Mie-ken Kankyo Kagaku Senta Kenkyu Hokuku 1989) Invertebrate toxicity : EC50 (48hr) Daphnia magna 0,43 mg/l (Finger, S.E. et al ASTM spec. Tech. Publ. 865 1985); LC50 (96hr) Neanthes arenacoedentata 1mg/l (Rossi, S. S. et al Mar. Pollut. Bull. 1978)
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:
USA RQ: CAS# 86-73-7: 5000 lb final RQ; 2270 kg final RQ
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# 86-73-7: No information available.
Canada
CAS# 86-73-7 is listed on Canada's DSL List.
CAS# 86-73-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 86-73-7 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2902909090

概述：
2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素：
品名, 成分含量
摘要/Summary：
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

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：53.79

2、   摩尔体积（cm3/mol）：148.3

3、   等张比容（90.2K）：386.7

4、   表面张力（dyne/cm）：46.2

5、   极化率（10-24cm3）：21.32

 

 

 

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:13

8.表面电荷:0

9.复杂度:165

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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