342002-82-8 (对-(异丙氧基羰基)苯硼酸,4-Isopropoxycarbonylphenylboronic acid)

对-(异丙氧基羰基)苯硼酸(342002-82-8)名称与标识符

名称

中文别名:
4-(异丙氧基羰基)苯硼酸 (含有数量不等的酸酐);4-异丙氧基甲酰苯基硼酸;4-异丙氧基羰基苯硼酸;对-(异丙氧基羰基)苯硼酸;4-(异丙氧基羰基)苯基硼酸 (含不同量的酸酐);
英文别名:
(4-(Isopropoxycarbonyl)phenyl)boronic acid;4-(Isopropoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride);4-(Isopropoxycarbonyl)benzeneboronic acid;(4-propan-2-yloxycarbonylphenyl)boronic acid;4-Isopropoxycarbonylphenylboronic acid;Benzoic acid,4-borono-, 1-(1-methylethyl) ester;p-(Isopropoxycarbonyl)phenylboronic Acid;[4-(isopropoxycarbonyl)phenyl]boronic acid;4-(Isopropoxycarbonyl)benzeneboronic Acid (contains varying amounts of Anhydride);Propan-2-yl 4-(dihydroxyboranyl)benzoate;ISOPROPYL 4-BORONOBENZOATE;NIQHFKWRHJZMQU-UHFFFAOYSA-N;SBB005797;AB11711;OR14156;AM86880;BC001188;AX8098212;I1001;F;PS-9742;DTXSID60370453;AKOS015838560;MFCD02259385;SY234888;A875075;4-(isopropoxycarbonyl)phenylboronic acid;SCHEMBL141580;342002-82-8;FT-0660353;H10928;CS-0154175;(4-(Isopropoxycarbonyl)phenyl)boronicacid;4-ISOPROPOXYCARBONYLPHENYLBORONICACID;4-(iso-Propoxycarbonyl)phenylboronic acid;

标识符

MDL:
MFCD02259385
InChIKey:
NIQHFKWRHJZMQU-UHFFFAOYSA-N
Inchi:
1S/C10H13BO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7,13-14H,1-2H3
SMILES:
O(C(C1C=CC(B(O)O)=CC=1)=O)C(C)C

对-(异丙氧基羰基)苯硼酸(342002-82-8)物化性质

实验特性

  • LogP : -0.06840
  • PSA : 66.76000
  • 沸点 : 359.0±44.0 °C at 760 mmHg
  • 熔点 : 111 °C
  • 闪点 : 170.9±28.4 °C
  • 颜色与性状 : 无味的米色晶体状粉末
  • 溶解性 : 未确定
  • 密度 : 1.2±0.1 g/cm3

计算特性

  • 精确分子量 : 208.09100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 208.0906891g/mol
  • 重原子数量 : 15
  • 复杂度 : 210
  • 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
  • 拓扑分子极性表面积 : 66.8

对-(异丙氧基羰基)苯硼酸(342002-82-8)海关数据

海关编码:
2931900090
海关数据:

中国海关编码:

2931900090

概述:

2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

Summary:

2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

对-(异丙氧基羰基)苯硼酸(342002-82-8)推荐厂家 更多厂家(19)

对-(异丙氧基羰基)苯硼酸(342002-82-8)参考资料

Reaxys RN:
15822967
Beilstein:
I183841
PubChem CID:

对-(异丙氧基羰基)苯硼酸(342002-82-8) MSDS

基础信息

Name:4-Isopropoxycarbonylphenylboronic acid Material Safety Data Sheet
Synonym:None Known
CAS:342002-82-8
Section 1 - Chemical Product ? MSDS Name:4-Isopropoxycarbonylphenylboronic acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
342002-82-84-Isopropoxycarbonylphenylboronic acidca. 100unlisted
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. 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. Can produce delayed pulmonary edema.
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. 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. 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 tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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# 342002-82-8: 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: Powder
Color: white to off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 111 deg C(decom)
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: C10H13BO4
Molecular Weight: 280.02

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, boron oxides.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 342002-82-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Isopropoxycarbonylphenylboronic acid - 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# 342002-82-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 342002-82-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 342002-82-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A