6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘

6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘 基本信息
CAS号 27452-17-1 分子式 C14H19Br
分子量 267.20500 精确质量 　266.06700
PSA 　0.00000 LogP 　4.79810
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
27452-17-1
3D弹球模型：
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分子式：
C14H19Br
分子量：
267.20500
中文名称：
6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘
英文名称：
6-bromo-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
中文别名：
6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘;
N,N-diethylbutane-1,4-diaminium;
4-Diethylaminobutylamine;
N,N-Diethylbutane-1,4-diamine;
pyrimidine-2-carbaldehyde;
(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl 6-O-[(2E)-3-phenylprop-2-enoyl]-beta-D-glucopyranoside;
picrosideⅠ;
2-(dimethylamino)ethanethioamide;
2-(Dimethylamino)thioacetamide hydrochloride;
2-(Dimethylaminothio)acetamide hydrochloride;
Optical Brightening Agent CBS-X;
Optical Brightner CBS-X;
2,2'-([1,1'-Biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-benzenesulfonic acid disodium salt;
s-(-)-1-butyl-2,6-pipecoloxylidide hydrochloride;
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride (1:1);
(S)-(-)-Bupivacaine Hydrochloride;
s1520;
se-1520;
tandix;
INDAPAMID;
Indapamidum;
4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide;
indaparnide;
indapamide;
2,2,4-trimethyl-1,2 dihydroquinoline(polymerized);
Rubber Antioxidant TMQ;
Rubber Antioxidant RD;
ANTIOXIDANT TMQ(RD);
ANTIOXIDANT TMQ;
po
英文别名：
6-bromo-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;
2-bromo-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene;
5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-bromo naphthalene;
2-bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene;
1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-bromo-naphthalene;
6-bromo-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene;
6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene
精确分子量/精确质量：
266.06700
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。
InChI：
InChI=1/C14H19Br/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3

物化性质展开↓

密度：
1.165g/cm3
熔点：
34-37ºC
沸点：
110-115ºC
闪点：
126.6ºC
折射率：
1.517
蒸汽压：
0.003mmHg at 25°C

安全信息展开↓

海关代码：
2903999090
危险类别码：
R20/21/22;R36/37/38
安全说明：
23-26-36/37/39
危险标志：
Xn: Harmful;

合成路线查看所有的合成路线

  • 108-86-1

    溴代苯

  • +

  • 6223-78-5

    2,5-二氯-2,5-二甲基己烷

  • →

    ~90%

  • 27452-17-1

    6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘

  • 6683-46-1

    1,1,4,4-四甲基-1,2,3,4-四氢萘

  • →

    ~77%

  • 27452-17-1

    6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘

  • 92050-16-3

    5,6,7,8-四氢-5,5,8,8-四甲基-2-萘胺

  • →

    ~34%

  • 27452-17-1

    6-溴-1,1,4,4-四甲基-1,2,3,4-四氢化萘

MSDS 展开↓

Name: 6-Bromo-1 1 4 4-tetramethyl-1 2 3 4-tetrahydronaphthalene Material Safety Data Sheet
Synonym: None Known
CAS: 27452-17-1
Section 1 - Chemical Product   MSDS Name:6-Bromo-1 1 4 4-tetramethyl-1 2 3 4-tetrahydronaphthalene Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
27452-17-1 6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-te 80+ 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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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:
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. 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
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# 27452-17-1: 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.
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: 110 - 115 deg C @1mm Hg
Freezing/Melting Point: 43 - 45 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: C14H19Br
Molecular Weight: 267.21
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, bromine.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 27452-17-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene - 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: 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:
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 23 Do not inhale gas/fumes/vapour/spray.
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# 27452-17-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27452-17-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27452-17-1 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：2903999090

概述：
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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）:5.7

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:15

8.表面电荷:0

9.复杂度:242

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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