6,8-二溴香豆素-3-羧酸

6,8-二溴香豆素-3-羧酸 基本信息
CAS号 3855-87-6 分子式 C10H4Br2O4
分子量 347.94400 精确质量  345.84800
PSA  67.51000 LogP  3.01620

基本信息 展开↓

CAS号:
3855-87-6
3D弹球模型:
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分子式:
C10H4Br2O4
分子量:
347.94400
中文名称:
6,8-二溴香豆素-3-羧酸
英文名称:
6,8-Dibromo-2-oxo-2H-chromene-3-carboxylic acid
中文别名:
6,8-二溴香豆素-3-羧酸;
6,8-二溴-2-氧代-2H-色烯-3-羧酸;
6,8-二溴甲氧基香豆素-3-甲酸
英文别名:
6,8-Dibromo-2-oxo-2H-chromene-3-carboxylic acid;
6,8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid,95+;
IFLAB-BB F0777-0666;
6,8-diBrCcaH;
6,8-DIBROMOCOUMARIN-3-CARBOXYLIC ACID;
6,8-Dibrom-2-oxo-2H-chromen-3-carbonsaeure
精确分子量/精确质量:
345.84800
极性分子表面积/PSA:
67.51000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00173735
InChI:
The Key: KJFIZDKBEUTEPR-UHFFFAOYSA-N

物化性质展开↓

密度:
2.178g/cm3
熔点:
221ºC
沸点:
483.2ºC at 760mmHg
闪点:
246ºC
存储条件/存储方法:

常温,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

安全信息展开↓

海关代码:
2932209090
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36/37/39
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 2033-24-1

    米氏酸

  • +

  • 90-59-5

    3,5-二溴水杨醛

  • ~92%

  • 3855-87-6

    6,8-二溴香豆素-3-羧酸

  • 2199-89-5

    6,8-二溴-2-氧代-2H-色烯-3-羧酸乙酯

  • ~89%

  • 3855-87-6

    6,8-二溴香豆素-3-羧酸

  • 90-59-5

    3,5-二溴水杨醛

  • +

  • 141-82-2

    丙二酸

  • 3855-87-6

    6,8-二溴香豆素-3-羧酸

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 6 8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid 95+ Material Safety Data Sheet
Synonym: 6,8-Dibromocoumarin-3-carboxylic aci
CAS: 3855-87-6
Section 1 - Chemical Product   MSDS Name:6 8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid 95+ Material Safety Data Sheet
Synonym:6,8-Dibromocoumarin-3-carboxylic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3855-87-6 6,8-Dibromo-2-oxo-2H-chromene-3-carbox 95+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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# 3855-87-6: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 221 - 224 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: C10H4Br2O4
Molecular Weight: 348

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3855-87-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6,8-Dibromo-2-oxo-2H-chromene-3-carboxylic 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 3855-87-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3855-87-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3855-87-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932209090

概述:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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