10,11-二氢二苯并[a,b]环庚烯-5-酮 | 1210-35-1

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 中文名称: 10,11-二氢二苯并[a,b]环庚烯-5-酮
• 中文别名: 二苯并[A,A]环庚-5-酮；10,11-二氢二苯并[a,d]环庚烯-5-酮；二苯并[A,D]环庚二烯酮-(5)；二苯并软木酮；二苯并环庚烯酮；二苯并环庚酮；二苯并环庚酮(DBS)；二苯并[a,d]环庚二烯酮-(5)；二苯并[a,a]环庚-5-酮
• 英文名称: 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one
• 英文别名: dibenzosuberone；10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one；tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
• CAS: 1210-35-1
• 化学式: C₁₅H₁₂O
• mdl: MFCD00003587
• 分子量: 208.26
• InChiKey: BMVWCPGVLSILMU-UHFFFAOYSA-N

物化性质

• 熔点：
  32-34 °C(lit.)
• 沸点：
  148 °C0.3 mm Hg(lit.)
• 密度：
  1.156 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• 溶解度：
  0.03g/l
• LogP：
  3.855 (est)
• 稳定性/保质期：

  如果按照规格使用和储存，一般不会分解，并且没有已知的危险反应。需要注意避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  29143900
• 危险品运输编号：
  200kgs
• RTECS号：
  HP1149700
• 危险性防范说明：
  P264,P264,P280,P302+P352,P337+P313,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  保持贮藏器密封，并将其存放在阴凉、干燥处。确保工作间有良好的通风或排气装置。

SDS

Name:	Dibenzosuberone 97% Material Safety Data Sheet
Synonym:	Dibenzocycloheptadienone; 10,11-Dihydro-5H-Dibenzo[A,D]Cyclohepten-5-One
CAS:	1210-35-1

Section 1 - Chemical Product MSDS Name:Dibenzosuberone 97% Material Safety Data Sheet
Synonym:Dibenzocycloheptadienone; 10,11-Dihydro-5H-Dibenzo[A,D]Cyclohepten-5-One

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1210-35-1	Dibenzosuberone	97.0%	214-912-3

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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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.
Ingestion:
May cause irritation of the digestive tract. 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.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 1210-35-1: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 148 deg C @ .30mmHg
Freezing/Melting Point: 32.00 - 34.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.1560g/cm3
Molecular Formula: C15H12O
Molecular Weight: 208.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, 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: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1210-35-1: HP1149700 LD50/LC50:
CAS# 1210-35-1: Draize test, rabbit, eye: 100 mg Moderate; Oral, mouse: LD50 = 1800 uL/kg.
Carcinogenicity:
Dibenzosuberone - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1210-35-1: No information available.
Canada
CAS# 1210-35-1 is listed on Canada's DSL List.
CAS# 1210-35-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1210-35-1 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：熔点为32-34℃，沸点148℃（40Pa），相对密度1.156，折光率1.6332。

用途：主要用于合成医药中间体阿米替林。

生产方法：由邻β-苯乙基苯甲酸经环合而得。