90064-46-3 (1-氯-4-碘-2,5-二甲氧基苯,1-Chloro-4-iodo-2,5-dimethoxybenzene)

CAS号:
90064-46-3
中文名称:
1-氯-4-碘-2,5-二甲氧基苯
英文名称:
1-Chloro-4-iodo-2,5-dimethoxybenzene
分子式:
C8H8ClIO2
分子量:
298.505393981934

1-氯-4-碘-2,5-二甲氧基苯(90064-46-3)名称与标识符

名称

中文别名:
1-氯-4-碘-2,5-二甲氧基苯;
英文别名:
1-Chloro-4-iodo-2,5-dimethoxybenzene;Benzene,1-chloro-4-iodo-2,5-dimethoxy-;1-Chlor-4-jod-2,5-dimethoxy-benzol;1-chloro-4-iodo-2,5-dimethoxy-benzene;1-chloro-4-iodo-2,5-dimetoxybenzene;4-Chloro-2,5-dimethoxyiodobenzene;HMS550H22;2,5-dimethoxy-4-iodochlorobenzene;benzene, 1-chloro-4-iodo-2,5-dimethoxy-;CS-0261474;Z1269177045;AKOS016003078;90064-46-3;InChI=1/C8H8ClIO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,1-2H;Maybridge1_003168;DTXSID50348626;FT-0607629;AS-9278;MFCD00048028;EN300-7867970;SCHEMBL4179556;DB-057181;

标识符

MDL:
MFCD00048028
InChIKey:
PABWCPGHJWYJSC-UHFFFAOYSA-N
Inchi:
1S/C8H8ClIO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,1-2H3
SMILES:
IC1C=C(C(=CC=1OC)Cl)OC

1-氯-4-碘-2,5-二甲氧基苯(90064-46-3)物化性质

实验特性

  • LogP : 2.96180
  • PSA : 18.46000
  • 折射率 : 1.584
  • 沸点 : 324.8°Cat760mmHg
  • 熔点 : 115-116
  • 闪点 : 150.2°C
  • 密度 : 1.74

计算特性

  • 精确分子量 : 297.92600
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 297.92575g/mol
  • 重原子数量 : 12
  • 复杂度 : 145
  • 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) : 3.1
  • 拓扑分子极性表面积 : 18.5Ų

1-氯-4-碘-2,5-二甲氧基苯(90064-46-3)安全信息

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1-氯-4-碘-2,5-二甲氧基苯(90064-46-3)上下游

1-氯-4-碘-2,5-二甲氧基苯(90064-46-3) MSDS

基础信息

Name:1-Chloro-4-iodo-2 5-dimethoxybenzene 97% Material Safety Data Sheet
Synonym:
CAS:90064-46-3
Section 1 - Chemical Product ? MSDS Name:1-Chloro-4-iodo-2 5-dimethoxybenzene 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
90064-46-31-Chloro-4-iodo-2,5-dimethoxybenzene97%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Light sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. 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.
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.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Do not store in direct sunlight. 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# 90064-46-3: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 115 - 116 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: C8H8ClIO2
Molecular Weight: 299

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, hydrogen iodide, iodine, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 90064-46-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Chloro-4-iodo-2,5-dimethoxybenzene - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 90064-46-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 90064-46-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 90064-46-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A