2905-54-6 (苯甲酸异丁酯,Methyl 2,3-dichlorobenzoate)

苯甲酸异丁酯(2905-54-6)名称与标识符

名称

中文别名:
2,3-二氯苯甲酸甲酯;苯甲酸异丁酯;
英文别名:
Methyl 2,3-dichlorobenzoate;Benzoic acid,2,3-dichloro-, methyl ester;2,3-Dichlorobenzoic acid methyl ester;2,3-Dichlorobenzoic Methylester;Methyl dichlorobenzoate;methyl ester of 2,3-CBA;methyl ester of 2,3-dichlorobenzoic acid;methyl-2,3-dichlorobenzoate;Benzoic acid, 2,3-dichloro-, methyl ester;RFVULUSGHFRDHJ-UHFFFAOYSA-N;STK428925;AK115924;ST50307646;SY107173;NS00028613;CS-0150892;DS-4347;DTXSID4062696;MFCD00061099;SCHEMBL993113;METHYL2,3-DICHLOROBENZOATE;EN300-7367692;AKOS003302031;s12122;2905-54-6;FT-0693586;DTXCID3037915;DA-07294;

标识符

MDL:
MFCD00061099
InChIKey:
RFVULUSGHFRDHJ-UHFFFAOYSA-N
Inchi:
1S/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
SMILES:
ClC1C(=CC=CC=1C(=O)OC)Cl

苯甲酸异丁酯(2905-54-6)物化性质

实验特性

  • LogP : 2.78000
  • PSA : 26.30000
  • 折射率 : 1.5537
  • 沸点 : 270.0±20.0 ºC (760 Torr),
  • 熔点 : 33-38 °C
  • 闪点 : 116.1±20.8 ºC,
  • 溶解度 : Very 微溶 (0.15 g/L) (25 ºC),
  • 颜色与性状 : 白色结晶
  • 溶解性 : 不溶于水
  • 密度 : 1.355±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 203.97400
  • 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 : 203.9744848g/mol
  • 重原子数量 : 12
  • 复杂度 : 172
  • 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
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26.3

苯甲酸异丁酯(2905-54-6)安全信息

苯甲酸异丁酯(2905-54-6)海关数据

海关编码:
2916399090
海关数据:

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

苯甲酸异丁酯(2905-54-6)上下游

苯甲酸异丁酯(2905-54-6)参考资料

Beilstein:
M183470
PubChem CID:

苯甲酸异丁酯(2905-54-6) MSDS

基础信息

Name:Methyl 2,3-Dichlorobenzoate, 97% Material Safety Data Sheet
Synonym:2,3-Dichlorobenzoic Acid Methyl Ester.
CAS:2905-54-6
Section 1 - Chemical Product MSDS Name: Methyl 2,3-Dichlorobenzoate, 97% Material Safety Data Sheet
Synonym: 2,3-Dichlorobenzoic Acid Methyl Ester.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
2905-54-6Methyl 2,3-Dichlorobenzoate97%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.
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. Do NOT use mouth-to-mouth resuscitation.
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. Dusts at sufficient concentrations can form explosive mixtures with air. 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:
Use water spray, dry chemical, carbon dioxide, or appropriate 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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 2905-54-6: 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: colorless - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 35 - 39 deg C
Autoignition Temperature: Not available.
Flash Point: 110 deg C ( 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C8H6Cl2O2
Molecular Weight: 205.04
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2905-54-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2,3-Dichlorobenzoate - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
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# 2905-54-6: No information available. Canada CAS# 2905-54-6 is listed on Canada's NDSL List. CAS# 2905-54-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2905-54-6 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 2/02/2000 Revision #3 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A