草酰溴

草酰溴 基本信息
CAS号 15219-34-8 分子式 C2Br2O2
分子量 215.82800 精确质量 　213.82700
PSA 　34.14000 LogP 　0.82940
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
15219-34-8
3D弹球模型：
立即前往扯扯看
分子式：
C2Br2O2
分子量：
215.82800
中文名称：
草酰溴
英文名称：
Oxalyl bromide
中文别名：
草酰溴;
2-Acrylamido-2-methylpropanesulphonic acid;
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid;
AMPS;
2-Acrylamide-2-methylpropanesulfonic acid;
2-(acryloylamino)-2-methylpropane-1-sulfonic acid;
potassium 2-(acryloylamino)-2-methylpropane-1-sulfonate;
sodium 2-(acryloylamino)-2-methylpropane-1-sulfonate;
2-(acryloylamino)-2-methylpropane-1-sulfonate;
Acrylamido tertiary butyl sulfonic acid;
ATBS;
2-Acrylamido-2-methylpropane sulphonic Acid;
2-Acryloylamino-2-methyl-1-propanesulfonic acid;
Fluorescein, 2',4',5',7'-tetrabromo- (VAN);
Japan Red 223;
Japan Red No. 223;
Red No. 223;
Solvent Red 43;
Spiro(isobenzofuran-1(3H),9'-(9H)-xanthen)-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-;
Fluorescein, 2',4',5',7'-tetrabromo-;
C.I. 45380:2;
disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate;
2',4',5',7'-tetrabromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one;
Eosin Yellowish;
2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid;
2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-ben
英文别名：
Oxalyl bromide;
oxalyl dibromide;
Ethanedioyl dibromide
精确分子量/精确质量：
213.82700
极性分子表面积/PSA：
34.14000
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：
MFCD00000113
EINECS：
239-271-7
PubChem：
24847129
BRN：
1744437
InChI：
InChI=1/C2Br2O2/c3-1(5)2(4)6

物化性质展开↓

外观与性状：
透明液体
密度：
1.517 g/mL at 25ºC
熔点：
-19ºC
沸点：
105 - 107ºC
闪点：
109.8ºC
折射率：
n20/D 1.522(lit.)
蒸汽压：
16.8mmHg at 25°C
存储条件/存储方法：

 

密闭于4 ºC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℃）：1.517

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：-19

5.       沸点（ºC,常压）：16-17/10mmHg

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.522

8.       闪点（ºC）：-19

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↓

包装等级：
II
海关代码：
2917190090
危险类别码：
R23/24/25
安全说明：
26-36/37/39-45-28-27

合成路线查看所有的合成路线

  • 79-37-8

    草酰氯

  • →

    ~82%

  • 15219-34-8

    草酰溴

  • 624-61-3

    1,2-dibromoethyne

  • +

  • 64-17-5

    乙醇

  • →

  • 79-28-7

    四溴乙烯

  • +

  • 15219-34-8

    草酰溴

  • 79-37-8

    草酰氯

  • +

  • 10035-10-6

    氢溴酸

  • →

  • 15219-34-8

    草酰溴

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: Oxalyl bromide 98% Material Safety Data Sheet
Synonym:
CAS: 15219-34-8
Section 1 - Chemical Product   MSDS Name:Oxalyl bromide 98% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15219-34-8 OXALYL BROMIDE 239-271-7
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.The toxicological properties of this material have not been fully investigated.Cancer suspect agent.Light sensitive.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
Do NOT use water directly on fire. Use carbon dioxide or dry chemical.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.
Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Store in a dry area. Keep under a nitrogen blanket. Keep refrigerated. (Store below 4C/39F.)
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 15219-34-8: 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: Liquid
Color: clear golden
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 102 - 103 deg C @ 720.00mm Hg
Freezing/Melting Point: -19 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: reacts with water
Specific Gravity/Density:
Molecular Formula: C2Br2O2
Molecular Weight: 215.83
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases, oxidizing agents, alcohol, steel.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 15219-34-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
OXALYL BROMIDE - 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: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, 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# 15219-34-8: No information available.
Canada
CAS# 15219-34-8 is listed on Canada's NDSL List.
CAS# 15219-34-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15219-34-8 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2917190090

概述：
2917190090 其他无环多元羧酸. 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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分
摘要/Summary：
2917190090 acyclic polycarboxylic 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%

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：26.83

2、   摩尔体积（m3/mol）：82.1

3、   等张比容（90.2K）：226.1

4、   表面张力（3.0 dyne/cm）：57.4

5、   极化率（0.5 10-24cm3）：10.63

计算化学数据

1.疏水参数计算参考值（XlogP）:1.8

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积34.1

7.重原子数量:6

8.表面电荷:0

9.复杂度:75.5

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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