491-45-2 (2,3',4,5',6-五羟基联苯,Phloroglucide)

CAS号:
491-45-2
中文名称:
2,3',4,5',6-五羟基联苯
英文名称:
Phloroglucide
分子式:
C12H10O5
分子量:
234.204803943634

2,3',4,5',6-五羟基联苯(491-45-2)名称与标识符

名称

中文别名:
2,3',4,5',6-五羟基联苯;2,3 ,4,5 ,6-五羟基联苯;2,3'',4,5'',6-五羟基联苯;藤黄盐;2,3’,4,5’,6-五羟基联苯;2,4,6,3',5'-联苯五酚;
英文别名:
Phloroglucide;2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol;Biphenyl-2,3',4,5',6-pentaol;Phloroglucide hydrate;NSC 65069;2,3',4,5',6-Biphenylpentol (Phloroglucide);[1,1'-Biphenyl]-2,3',4,5',6-pentol;2,4,5',6-Biphenylpentol;CS-0137693;2,3?,4,5?,6-Biphenylpentol (Phloroglucide);HY-134041;2,4,6,3',5'-biphenylpentol;ZB1044;(1,1'-Biphenyl)-2,3',4,5',6-pentol;AS-62474;491-45-2;phloroglucid;MFCD00044547;SCHEMBL278516;BDBM50332178;[1,10-Biphenyl]-2,3'',4,5'',6-pentol;FT-0632218;CHEMBL1288340;Phloroglucide xH2O;DTXSID60197682;U4GNW4D2BR;[1,1'-Biphenyl]-2,3',4,5',6-pentaol;NSC65069;AKOS024287485;NSC-65069;NCIOpen2_003126;2,3',4,5',6-Biphenylpentol;UNII-U4GNW4D2BR;Phloroglucinol Anhydrous Imp. D (EP); [1,1'-Biphenyl]-2,3',4,5',6-pentol; Phloroglucide (6CI); 2,4,6,3',5'-Biphenylpentol; NSC 65069; Phloroglucinol Impurity D;biphenyl-2,3',4,5',6-pentol;DB-051604;STL552794;BBL036662;KICYRZIVKKYRFS-UHFFFAOYSA-N;Biphenyl-2,3(2),4,5(2),6-pentaol;AAA49145;DTXCID20120173;

标识符

MDL:
MFCD00044547
InChIKey:
KICYRZIVKKYRFS-UHFFFAOYSA-N
Inchi:
1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H
SMILES:
OC1C=C(C=C(C=1C1C=C(C=C(C=1)O)O)O)O
BRN:
3324960

2,3',4,5',6-五羟基联苯(491-45-2)物化性质

实验特性

  • LogP : 1.88160
  • PSA : 101.15000
  • 折射率 : 1.756
  • 沸点 : 529.5°C at 760 mmHg
  • 熔点 : 216-218 ºC (water )
  • 闪点 : 268.1°C
  • 溶解度 : 微溶 (3.5 g/L) (25 ºC),
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 敏感性 : Light Sensitive
  • 密度 : 1.594±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 234.05300
  • 氢键供体数量 : 5
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 1
  • 同位素质量 : 234.053
  • 重原子数量 : 17
  • 复杂度 : 237
  • 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) : 1.8
  • 互变异构体数量 : 75
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 101A^2

2,3',4,5',6-五羟基联苯(491-45-2)海关数据

海关编码:
2906299090
海关数据:

中国海关编码:

2906299090

概述:

2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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2,3',4,5',6-五羟基联苯(491-45-2)相关文献

2,3',4,5',6-五羟基联苯(491-45-2)参考资料

Reaxys RN:
PubChem CID:

2,3',4,5',6-五羟基联苯(491-45-2) MSDS

基础信息

Name:Phloroglucide 95+% Material Safety Data Sheet
Synonym:PHB
CAS:491-45-2
Section 1 - Chemical Product ? MSDS Name:Phloroglucide 95+% Material Safety Data Sheet
Synonym:PHB

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
491-45-2Phloroglucide95+unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 if irritation develops or persists. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
Notes to Physician:

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:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.

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. Dark room.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 491-45-2: 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: slightly brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 300 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: C12H10O5
Molecular Weight: 234.21

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. May discolor on exposure to light.
Conditions to Avoid:
Incompatible materials, light, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 491-45-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Phloroglucide - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 491-45-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 491-45-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 491-45-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A