22921-67-1

22921-67-1结构式

常用中文名：5-乙酰氨基-2-溴-苯甲酸
常用英文名：5-ACETAMIDO-2-BROMOBENZOIC ACID
CAS号：22921-67-1
分子式：C₉H₇BrNO₃
分子量：257.061
相关类别：化学试剂有机试剂芳香酸
发布时间：2018-04-20 08:00:00
更新时间：2024-01-17 19:36:00

中文名	5-乙酰氨基-2-溴-苯甲酸
英文名	5-acetamido-2-bromobenzoic acid
中文别名	5-乙酰胺基-2-溴苯酸水合物
英文别名	5-Acetamido-2-bromobenzoate Benzoic acid, 5-(acetylamino)-2-bromo-, ion(1-) 5-acetamide-2-bromobenzoic acid MFCD00040902 6-Brom-3-acetamino-benzoesaeure 5-acetylamino-2-bromo-benzoic acid 5-Acetamido-2-bromobenzoic acid hydrate 5-Acetylamino-2-brom-benzoesaeure 5-Acetamido-2-bromobenzoic acid hydrat

密度	1.706 g/cm3
沸点	466.0±40.0 °C at 760 mmHg
熔点	186ºC
分子式	C₉H₇BrNO₃
分子量	257.061
闪点	235.6±27.3 °C
精确质量	255.961472
PSA	66.40000
LogP	2.01
外观性状	淡紫色-淡灰色粉末
蒸汽压	0.0±1.2 mmHg at 25°C
储存条件	保持贮藏器密封放入紧密的贮藏器内，储存在阴凉，干燥的地方
稳定性	如果遵照规格使用和储存则不会分解避免接触氧化物
分子结构	五、分子性质数据： 1、摩尔折射率：55.14 2、摩尔体积（cm³/mol）：151.2 3、等张比容(90.2K)：423.6 4、表面张力(dyne/cm)：61.5 5、极化率 (10-24cm ³) ： 21.86
计算化学	1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:2 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:3 6.拓扑分子极性表面积66.4 7.重原子数量:14 8.表面电荷:0 9.复杂度:244 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
更多	1.性状：未确定 2.密度（g/mL,25/4℃）：未确定 3.相对蒸汽密度（g/mL,空气=1）：未确定 4.熔点（ºC）：186-188 5.沸点（ºC,常压）：未确定 6.沸点（ºC,5.2kPa）：未确定 7.折射率：未确定 8.闪点（ºC）：未确定 9.比旋光度（º）：未确定 10.自燃点或引燃温度（ºC）：未确定 11.蒸气压（kPa,25ºC）：未确定 12.饱和蒸气压（kPa,60ºC）：未确定 13.燃烧热（KJ/mol）：未确定 14.临界温度（ºC）：未确定 15.临界压力（KPa）：未确定 16.油水（辛醇/水）分配系数的对数值：未确定 17.爆炸上限（%,V/V）：未确定 18.爆炸下限（%,V/V）：未确定 19.溶解性：未确定

Name:	5-Acetamido-2-Bromobenzoic Acid Material Safety Data Sheet
Synonym:	None Known
CAS:	22921-67-1

Section 1 - Chemical Product MSDS Name:5-Acetamido-2-Bromobenzoic Acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22921-67-1	5-Acetamido-2-Bromobenzoic Acid	ca. 100	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.
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:
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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. 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. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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:
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# 22921-67-1: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 186 - 188 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: C9H8BrNO3
Molecular Weight: 258.07

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22921-67-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Acetamido-2-Bromobenzoic 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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# 22921-67-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22921-67-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22921-67-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

生态学数据:

通常来说对水是不危害的，若无政府许可，勿将材料排入周围环境

危害码 (欧洲)	Xn
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S26-S36

2840-02-0

108-24-7

~97%

22921-67-1

文献：Santen Pharmaceutical Co., Ltd.; Kudou, Kazuhiro; Yamamoto, Noriyoshi; Ban, Masakazu; Ohno, Atsushi Patent: US2013/310576 A1, 2013 ; Location in patent: Paragraph 0155 ;