2,3-二溴-4-羟基-5-甲氧基苯甲醛

2,3-二溴-4-羟基-5-甲氧基苯甲醛 基本信息
CAS号 2973-75-3 分子式 C8H6Br2O3
分子量 309.93900 精确质量  307.86800
PSA  46.53000 LogP  2.73830

基本信息 展开↓

CAS号:
2973-75-3
3D弹球模型:
立即前往扯扯看
分子式:
C8H6Br2O3
分子量:
309.93900
中文名称:
2,3-二溴-4-羟基-5-甲氧基苯甲醛
英文名称:
2,3-DIBROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE
中文别名:
2,3-二溴-4-羟基-5-甲氧基苯甲醛;
2,3-二溴-4-羟基-5-甲氧基苯甲醛,98%
英文别名:
2,3-DIBROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE;
2,3-Dibrom-4-hydroxy-5-methoxy-benzaldehyd;
2,3-dibromo-4-hydroxy-5-methoxy-benzaldehyde;
5,6-Dibromovanillin;
5,6-Dibrom-vanillin;
5,6-dibromo-4-hydroxy-3-methoxybenzaldehyde;
2,3,5,6-TETRAFLUOROISONICOTINIC ACID
精确分子量/精确质量:
307.86800
极性分子表面积/PSA:
46.53000
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:
MFCD00016978
BRN:
1968576
InChI:
The Key: WKLKGSHBXNPUDU-UHFFFAOYSA-N

物化性质展开↓

密度:
1.988g/cm3
熔点:
212-215 °C
沸点:
334.4ºC at 760mmHg
闪点:
156ºC
折射率:
1.651
蒸汽压:
6.62E-05mmHg at 25°C
存储条件/存储方法:

密闭于阴凉干燥环境中

稳定性相关:

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):212-215

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2913000090
危险类别码:
36/37/38
安全说明:
S37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi

合成路线查看所有的合成路线

  • 121-33-5

    香草醛

  • ~75%

  • 2973-75-3

    2,3-二溴-4-羟基-5-甲氧基苯甲醛

  • 881-68-5

    乙酰香兰素

  • +

  • 7726-95-6

    溴素

  • +

  • 7553-56-2

  • +

  • 64-19-7

    乙酸

  • 2973-75-3

    2,3-二溴-4-羟基-5-甲氧基苯甲醛

  • +

  • 2973-76-4

    5-溴香兰素

  • 60632-40-8

    6-溴香兰素

  • +

  • 7726-95-6

    溴素

  • +

  • 7553-56-2

  • +

  • 64-19-7

    乙酸

  • 2973-75-3

    2,3-二溴-4-羟基-5-甲氧基苯甲醛

毒理性展开↓

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: 2 3-Dibromo-4-hydroxy-5-methoxybenzaldehyde Material Safety Data Sheet
Synonym:
CAS: 2973-75-3
Section 1 - Chemical Product   MSDS Name:2 3-Dibromo-4-hydroxy-5-methoxybenzaldehyde Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2973-75-3 2,3-Dibromo-4-hydroxy-5-methoxybenzald unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Air sensitive.
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:

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. Use only in a chemical fume hood.
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# 2973-75-3: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 212 - 215 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: C8H6Br2O3
Molecular Weight: 309.94

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, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2973-75-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde - 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# 2973-75-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2973-75-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2973-75-3 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:2913000090

概述:
2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 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
摘要/Summary:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:56.94

2、   摩尔体积(m3/mol):155.9

3、   等张比容(90.2K):425.0

4、   表面张力(dyne/cm):55.2

5、   极化率10-24cm3):22.57

计算化学数据


1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:5

6.拓扑分子极性表面积46.5

7.重原子数量:13

8.表面电荷:0

9.复杂度:188

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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