27129-86-8 (3,5-二甲基苯甲基溴,1-(bromomethyl)-3,5-dimethylbenzene)

CAS号:
27129-86-8
中文名称:
3,5-二甲基苯甲基溴
英文名称:
1-(bromomethyl)-3,5-dimethylbenzene
安全信息:
分子式:
C9H11Br
分子量:
199.087641954422

3,5-二甲基苯甲基溴(27129-86-8)名称与标识符

名称

中文别名:
3,5-二甲基苯甲基溴;3,5-二甲基溴苄;3,5-二甲基苄基溴;1-碘-3,3,3-三氟丙烷;3,5-二甲基苄溴;2,3-二甲基溴苄;
英文别名:
1-(Bromomethyl)-3,5-dimethylbenzene;3,5-Dimethylbenzyl bromide;ALPHA-Bromomesitylene;1-bromomethyl-3,5-dimethylbenzene;3,5-dimethyl-1-bromomethylbenzene;3,5-Me2C6H3CH2Br;α-Bromomesitylene;benzene, 1-(bromomethyl)-3,5-dimethyl-;timtec-bb sbb008310;a-bromomesitylene;5-bromomethyl-m-xylene;3,5-dimethylbenzyl brromide;3,5-Dimethylbenzylbromide;.alpha.-Bromomesitylene;QXDHXCVJGBTQMK-UHFFFAOYSA-N;5-(bromomethyl)-1,3-dimethylbenzene;PubChem9979;3,5dimethylbenzyl bromide;3,5-dimethyl benzylbromide;3,5-dimethylbenzyI bromide;3,5-dimethyl benzyl bromide;KSC201S0R;DTXSID70181592;FT-0622119;1-(bromomethyl)-3,5-dimethyl-benzene;SCHEMBL502038;CS-W002092;AM20060585;3,5-Dimethylbenzyl bromide, >=97.0% (GC);1-(Bromomethyl)-3,5-dimethylbenzene;Benzene, 1-(bromomethyl)-3,5-dimethyl-;AKOS000121560;27129-86-8;BCP21668;A818923;J-511357;3,5-Dimethylbenzyl Bromide, Pract.;MFCD00013539;EN300-16610;A5293;DTXCID10104083;STL557195;DB-047167;BBL103385;

标识符

MDL:
MFCD00013539
InChIKey:
QXDHXCVJGBTQMK-UHFFFAOYSA-N
Inchi:
1S/C9H11Br/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3
SMILES:
BrCC1C=C(C)C=C(C)C=1
BRN:
1857343

3,5-二甲基苯甲基溴(27129-86-8)物化性质

实验特性

  • LogP : 3.19830
  • PSA : 0.00000
  • 折射率 : 1.5482 (estimate)
  • 沸点 : 101-103 ºC (8 mmHg)
  • 熔点 : 37-39 °C (lit.)
  • 闪点 : 109-110℃/14mm
  • 颜色与性状 : 浅黄色低熔点结晶
  • 溶解性 : 未确定
  • 密度 : 1.2949 (estimate)

计算特性

  • 精确分子量 : 198.00400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 1
  • 同位素质量 : 198.004
  • 重原子数量 : 10
  • 复杂度 : 90.9
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0

3,5-二甲基苯甲基溴(27129-86-8)安全信息

3,5-二甲基苯甲基溴(27129-86-8)国际标准相关数据

EINECS:
212-529-6

3,5-二甲基苯甲基溴(27129-86-8)海关数据

海关编码:
29036990
海关数据:

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

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%

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3,5-二甲基苯甲基溴(27129-86-8)相关文献

3,5-二甲基苯甲基溴(27129-86-8)参考资料

Beilstein:
1857343
PubChem CID:

3,5-二甲基苯甲基溴(27129-86-8) MSDS

基础信息

Name:3 5-Dimethylbenzyl bromide Material Safety Data Sheet
Synonym:
CAS:27129-86-8
Section 1 - Chemical Product ? MSDS Name:3 5-Dimethylbenzyl bromide Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
27129-86-83,5-Dimethylbenzyl bromide100unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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:
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. Avoid runoff into storm sewers and ditches which lead to waterways.

Section 7 - HANDLING and STORAGE
? Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 27129-86-8: 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: 101 - 103 deg C @ 8 mmHg
Freezing/Melting Point: 38 - 40 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: C9H11Br
Molecular Weight: 199.09

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, bases, alcohols, amines, steel.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 27129-86-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dimethylbenzyl bromide - Not listed by ACGIH, IARC, or NTP.

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: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
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: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
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.
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# 27129-86-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27129-86-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27129-86-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A