118-76-3 (玫瑰红酸二水合物,Rhodizonic acid dihydrate)

CAS号:
118-76-3
中文名称:
玫瑰红酸二水合物
英文名称:
Rhodizonic acid dihydrate
分子式:
C6H2O6
分子量:
170.07648229599

玫瑰红酸二水合物(118-76-3)名称与标识符

名称

中文别名:
玫瑰红酸二水合物;1-溴-2,4,6-三甲氧基苯;玫琮酸;玫琮酸二水合物;5,6-二羥-5-環己烯四酮;玫棕酸;玫瑰红酸二水;玫琮酸 二水合物;玫瑰红酸二水合物,98%;
英文别名:
Rhodizonic acid dihydrate;5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetraone;Rhodizonic acid;1,2-Dihydroxy-3,4,5,6-tetraoxocyclohexene;5,6-Dihydroxy-1,2,3,4-benzodiquinone;5,6-dihydroxy-5-cyclohexen-1,2,3,4-tetraone;5,6-dihydroxy-5-cyclohexene-1,2,3,4-tetraone;5,6-dihydroxy-5-cyclohexene-1,2,3,4-tetrone;5,6-Dihydroxy-cyclohex-5-en-1,2,3,4-tetraon;Dihydroxy-cyclohexentetraon;DIHYDROXYDIQUINOYL;Einecs 204-276-5;RHIZOCARPIC ACID(RG);rhodizonicacid;16833-52-6 (Barium salt);523-21-7 (Hydrochloride salt);13021-40-4 (Di-potassium salt);dihydroxycyclohex-5-ene-1,2,3,4-tetrone;Rhodizonic acid, Disodium Salt;DTXSID70151997;InChI=1/C6H2O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8;NG86FBS267;UNII-NG86FBS267;5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone;NS00041461;SCHEMBL916303;5-cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-;Rhodizonsaure;AKOS006228674;NSC624150;118-76-3;Q2823301;

标识符

InChIKey:
WCJLIWFWHPOTAC-UHFFFAOYSA-N
Inchi:
1S/C6H2O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8H
SMILES:
OC1C(C(C(C(C=1O)=O)=O)=O)=O
BRN:
2047007

玫瑰红酸二水合物(118-76-3)物化性质

实验特性

  • LogP : -1.39600
  • PSA : 108.74000
  • 折射率 : 1.7540 (estimate)
  • 沸点 : 259.67°C (rough estimate)
  • 熔点 : 248 °C (dec.)(lit.)
  • 闪点 : 177.7°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.7636 (rough estimate)

计算特性

  • 精确分子量 : 169.98500
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 0
  • 同位素质量 : 169.985138
  • 重原子数量 : 12
  • 复杂度 : 313
  • 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
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 109

玫瑰红酸二水合物(118-76-3)安全信息

玫瑰红酸二水合物(118-76-3)海关数据

海关编码:
2914400090
海关数据:

中国海关编码:

2914400090

概述:

2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 丙酮报明包装

Summary:

2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

玫瑰红酸二水合物(118-76-3)相关文献

玫瑰红酸二水合物(118-76-3) MSDS

基础信息

Name:Rhodizonic Acid Dihydrate Material Safety Data Sheet
Synonym:None.
CAS:118-76-3
Section 1 - Chemical Product MSDS Name: Rhodizonic Acid Dihydrate Material Safety Data Sheet
Synonym: None.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
118-76-3Rhodizonic Acid Dihydrateca 100204-276-5
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. Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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:
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:


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 agent most appropriate to extinguish fire. 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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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# 118-76-3: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Decomposes
Freezing/Melting Point: 255.00 - 257.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 257 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H2O6.2H2O
Molecular Weight: 206.11
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 118-76-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Rhodizonic Acid Dihydrate - 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 118-76-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 118-76-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 118-76-3 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 2/05/1999 Revision #2 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