166744-78-1 (4-苯甲氧基-2-氟苯硼酸,4-Benzyloxy-2-fluorophenylboronic acid)

快速询单

结构式：

4-苯甲氧基-2-氟苯硼酸MOL文件

CAS号：

166744-78-1

中文名称：

4-苯甲氧基-2-氟苯硼酸

英文名称：

4-Benzyloxy-2-fluorophenylboronic acid

安全信息：

分子式：

C₁₃H₁₂BFO₃

分子量：

246.041987419128

4-苯甲氧基-2-氟苯硼酸(166744-78-1)名称与标识符

名称

中文别名：

4-苯甲氧基-2-氟苯硼酸;4-苄氧基-2-氟苯硼酸;4-苄氧基-2-氟苯基硼酸 (含不同量的酸酐);2-辛炔醛二乙基缩醛;4-苄氧基-2-氟苯硼酸 (含不同量的酸酐);4-苯甲氧基-2-氟苯硼酸 (含不同量的酸酐);2-氟-4-苄氧基苯硼酸;4-苄氧基-2-氟苯基硼酸;4-苄氧基-2-氟苯硼酸,96%;4-苯甲氧基-2-氟苯硼酸,96%;

英文别名：

4-Benzyloxy-2-fluorophenylboronic acid;4-Benzyloxy-2-fluorophenylboronic Acid (contains varying amounts of Anhydride);4-(Benzyloxy)-2-fluorophenylboronic acid;(4-(Benzyloxy)-2-fluorophenyl)boronic acid;(2-fluoro-4-phenylmethoxyphenyl)boronic acid;4-Benzyloxy-2-Fluorobenzeneboronic Acid;4-Benzyloxy-2-fluorobenzeneboronic Acid (contains varying amounts of Anhydride);AKOS BRN-0077;4-Benzyloxy-2-fluorophenylboro;166744-78-1;4-Benzyloxy-2-fluorobenzeneboronicacid97%;4-Benzyloxy-2-fluorobenzeneboronic acid 97%;4-(Benzyloxy)-2-fluorophenylboronic acid, 97%, anhydride present;4-(Benzyloxy)-2-fluorophenylboronic acid, May contain varying amounts of anhydride, 97%;Boronic acid, [2-fluoro-4-(phenylmethoxy)phenyl]-;PubChem7760;KSC489M1H;Boronic acid, B-[2-fluoro-4-(phenylmethox;Boronic acid, B-[2-fluoro-4-(phenylmethoxy)phenyl]-;PS-9564;(4-benzyloxy-2-fluoro-phenyl)boronic acid;AC-30999;B4638;MFCD02093064;PQWKGFALWCOVTC-UHFFFAOYSA-N;J-514496;[4-(benzyloxy)-2-fluorophenyl]boronic acid;DTXSID70372241;EN300-832856;4-(benzyloxy)-2-fluorophenylboronic acid, AldrichCPR;CS-W012704;A810766;SY034274;2-fluoro-4-benzyloxyphenylboronic acid;4-(benzoxy)-2-fluorophenylboronic acid;AB10746;4-Benzyloxy-2-fluorophenylboronicacid;(4-benzyloxy-2-fluoro-phenyl)boronic acid;4-(Benzyloxy)-2-fluorophenylboronic Acid;AKOS004113766;Z1258926902;SCHEMBL1711426;FT-0617649;4-benzyloxy-2-fluoro-phenylboronic acid;DB-010649;

标识符

MDL：

MFCD02093064

InChIKey：

PQWKGFALWCOVTC-UHFFFAOYSA-N

Inchi：

1S/C13H12BFO3/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

SMILES：

FC1C=C(C=CC=1B(O)O)OCC1C=CC=CC=1

4-苯甲氧基-2-氟苯硼酸(166744-78-1)物化性质

实验特性

LogP : 1.08450
PSA : 49.69000
折射率 : 1.577
沸点 : 406.8℃/760mmHg
熔点 : 151 °C
闪点 : 199.8 oC
溶解度 : 溶于甲醇
颜色与性状 : 白色固体
溶解性 : 不能溶解于水的
酸度系数(pKa) : 8.50±0.58(Predicted)
密度 : 1.2600

计算特性

精确分子量 : 246.08600
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 : 246.086
重原子数量 : 18
复杂度 : 246
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） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 49.7

4-苯甲氧基-2-氟苯硼酸(166744-78-1)安全信息

符号： GHS07
安全术语： S26;S36
安全说明： S26-S36/37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：H315,H319,H335
警示性声明：P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
提示语：警告
储存条件：保持寒冷
危险类别码： 36/37/38
信号词： Warning
HazardClass： IRRITANT, KEEP COLD

4-苯甲氧基-2-氟苯硼酸(166744-78-1)国际标准相关数据

EINECS：

672-875-2

4-苯甲氧基-2-氟苯硼酸(166744-78-1)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%

4-苯甲氧基-2-氟苯硼酸(166744-78-1)推荐厂家更多厂家(32)

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4-苯甲氧基-2-氟苯硼酸(166744-78-1)参考资料

Reaxys RN：

13578639

Beilstein：

MFCD02093064

PubChem CID：

2737786

4-苯甲氧基-2-氟苯硼酸(166744-78-1) MSDS

基础信息

Name:	4-(Benzyloxy)-2-fluorophenylboronic acid 97% Material Safety Data Sheet
Synonym:
CAS:	166744-78-1

Section 1 - Chemical Product ? MSDS Name:4-(Benzyloxy)-2-fluorophenylboronic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
166744-78-1	4-(Benzyloxy)-2-fluorophenylboronic ac	97%	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.
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. 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# 166744-78-1: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 153 - 155 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: C13H12BFO3
Molecular Weight: 246.04

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, oxides of boron, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 166744-78-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Benzyloxy)-2-fluorophenylboronic 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# 166744-78-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 166744-78-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 166744-78-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A