111771-08-5 (2-氟-6-碘苯甲酸,2-Fluoro-6-iodobenzoic acid)

CAS号:
111771-08-5
中文名称:
2-氟-6-碘苯甲酸
英文名称:
2-Fluoro-6-iodobenzoic acid
安全信息:
分子式:
C7H4FIO2
分子量:
266.008337974548

2-氟-6-碘苯甲酸(111771-08-5)名称与标识符

名称

中文别名:
2-氟-6-碘苯甲酸;2-(4-溴苯基)-1,3-二氧戊环;2-Fluoro-6-iodobenzoic Acid 2-氟-6-碘苯甲酸;
英文别名:
2-Fluoro-6-iodobenzoic acid;RARECHEM AL BO 0280;TIMTEC-BB SBB006699;2-Fluoro-6-iodobenzoic;2-fluoro-6-iodobenzoic aci;6-fluoro-2-iodobenzoic acid;Benzoic acid, 2-fluoro-6-iodo-;Maybridge3_007452;PubChem1386;2-Fluoro-6-Iodobenzoicacid;2-fluoro-6-iodo-benzoic acid;2-fluoro-6-iodo benzoic acid;CYCXAPWOBWWNRK-UHFFFAOYSA-N;HMS1452D13;SBB006699;RP29470;CM12736;VZ24642;111771-08-5;Z1269210908;EN300-107768;CCG-255872;SCHEMBL1265740;DTXSID30369834;AKOS015853409;NS00015773;SY017830;PS-7324;AM20060372;CK2178;FT-0612390;CS-W012433;2-Fluoro-6-iodobenzoic acid, 97%;F0796;IDI1_018839;J-509486;InChI=1/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11;MFCD00042289;6-Iodo-2-fluorobenzoic acid;DB-030856;

标识符

MDL:
MFCD00042289
InChIKey:
CYCXAPWOBWWNRK-UHFFFAOYSA-N
Inchi:
1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
SMILES:
IC1C=CC=C(C=1C(=O)O)F
BRN:
4982371

2-氟-6-碘苯甲酸(111771-08-5)物化性质

实验特性

  • LogP : 2.12850
  • PSA : 37.30000
  • 沸点 : 301.6 °C at 760 mmHg
  • 熔点 : 124.0 to 128.0 deg-C
  • 闪点 : 136.2 °C
  • 颜色与性状 : 浅黄色或棕色粉末
  • 溶解性 : 未确定
  • 敏感性 : Light Sensitive
  • 密度 : 1.9575 (estimate)

计算特性

  • 精确分子量 : 265.92400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 265.924
  • 重原子数量 : 11
  • 复杂度 : 163
  • 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) : 2.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.3

2-氟-6-碘苯甲酸(111771-08-5)国际标准相关数据

EINECS:
MFCD00042289

2-氟-6-碘苯甲酸(111771-08-5)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%

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2-氟-6-碘苯甲酸(111771-08-5)相关文献

2-氟-6-碘苯甲酸(111771-08-5)参考资料

Reaxys RN:
4982371
Beilstein:
4982371
PubChem CID:

2-氟-6-碘苯甲酸(111771-08-5) MSDS

基础信息

Name:2-Fluoro-6-iodobenzoic acid 98% Material Safety Data Sheet
Synonym:None
CAS:111771-08-5
Section 1 - Chemical Product ? MSDS Name:2-Fluoro-6-iodobenzoic acid 98% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
111771-08-52-Fluoro-6-iodobenzoic acid98.0unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Causes irritation of mucous membrane.
Chronic:
No information found.

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. 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.
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:
Antidote: None reported.

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 appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 111771-08-5: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 123 - 126 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: C7H4FIO2
Molecular Weight: 266.01

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, hydrogen iodide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 111771-08-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Fluoro-6-iodobenzoic 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
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 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable 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# 111771-08-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 111771-08-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 111771-08-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A