苯胂酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

苯胂酸 基本信息

中文名称:
苯胂酸 
中文别名:
苯胂酸;
苯砷酸;
苯基胂酸 
英文名称:
PHENYLARSONIC ACID
英文别名:
phenylarsonic acid;
PHENYLARSONIC ACID;
Phenylarsonic Acid 
CAS No.:
98-05-5
分 子 式:
C6H7AsO3
分 子 量:
202.04
精确分子量:
201.96100
PSA:
57.53000
MDL:
MFCD00002097
EINECS:
202-631-9
InChI:
InChI=1/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
风险术语:
50/53-23/25
分子结构式:
SDS:
查看

苯胂酸 制备方法及用途

制备方法

由苯胺重氮化后与亚砷酸反应则制得。

合成制备方法

由苯胺重氮化后与亚砷酸反应则制得。

用途简介

用作分析试剂。

用途

用作分析试剂。

苯胂酸 物化性质

密度:
1,76 g/cm3
熔点:
160 °C
沸点:
438.2ºC at 760mmHg
闪点:
232.9ºC
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

常温常压不分解。避免与氧化剂接触。

其它信息:

1.      性状:白色结晶性粉末。

2.      密度(g/mL,25):1.76

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):160

5.      沸点(ºC,常压):未确定

6.      沸点(ºC, kPa):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(mmHg, 55ºC):未确定

12.   饱和蒸气压(kPa, 25 ºC):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

苯胂酸 安全信息

包装等级:
III
风险类别:
6.1
危险类别码:
R50/53
安全说明:
S61-S60-S45-S28A-S20/21
RTECS号:
CY3150000
安全标志:
S20:使用时,不得同时饮食。
S21:使用时不得吸烟。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S28:接触皮肤之后,立即使用大量皂液洗涤。
危险标志:
N-T

苯胂酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY3150000
CHEMICAL NAME :
Benzenearsonic acid
CAS REGISTRY NUMBER :
98-05-5
BEILSTEIN REFERENCE NO. :
2935741
LAST UPDATED :
199709
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C6-H7-As-O3
MOLECULAR WEIGHT :
202.05
WISWESSER LINE NOTATION :
Q-AS-QO&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,287,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
270 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
16 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 80,93,1944 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.5 mg(As)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,16,1971 OSHA PEL (Gen Indu):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.5 mg(As)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 0.2 mg(As)/m3 JAN 1993 OEL-AUSTRALIA:TWA 0.05 mg(As)/m3;Carcinogen JAN 1993 OEL-BELGIUM:TWA 0.2 mg(As)/m3 JAN 1993 OEL-DENMARK:TWA 0.05 mg(As)/m3 JAN 1993 OEL-FINLAND;Carcinogen JAN 1993 OEL-FRANCE:TWA 0.2 mg(As)/m3 JAN 1993 OEL-HUNGARY:STEL 0.5 mg(As)/m3;Carcinogen JAN 1993 OEL-INDIA:TWA 0.2 mg(As)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.5 mg(As)/m3 JAN 1993 OEL-POLAND:TWA 0.3 mg(As)/m3 JAN 1993 OEL-SWEDEN:TWA 0.03 mg(As)/m3;Carcinogen JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(As)/m3;Carcinogen JAN 1993 OEL-THAILAND:TWA 0.5 mg(As)/m3 JAN 1993 OEL-TURKEY:TWA 0.5 mg(As)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.2 mg(As)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV
毒理学数据:

急性毒性:大鼠经口LD5050mg/kg

苯胂酸 MSDS

Name: Phenylarsonic acid 97% Material Safety Data Sheet
Synonym: Benzenearsonic aci
CAS: 98-05-5
Section 1 - Chemical Product   MSDS Name:Phenylarsonic acid 97% Material Safety Data Sheet
Synonym:Benzenearsonic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
98-05-5 Benzenearsonic acid 97 202-631-9
Hazard Symbols: T
Risk Phrases: 23/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation and if swallowed.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
Low hazard for usual industrial handling.
Inhalation:
Low hazard for usual industrial handling.
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 immediately.
Skin:
Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water.
Ingestion:
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. 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.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 98-05-5: United Kingdom, WEL - TWA: (listed as arsenic compounds, n.o.s.): mg/m3 TWA (except arsine, as As) United Kingdom, WEL - STEL: (listed as arsenic compounds, n.o.s.) 0.3 mg/m3 STEL (except arsine, as As) United States OSHA: 0.5 mg/m3 TWA (listed under Arsenic).
Belgium - TWA: (listed as arsenic): 0.01 mg/m3 VLE Japan: (listed as arsenic compounds, n.o.s.): 3 g/m3 OEL (refere value, as As) Malaysia: (listed as arsenic): 0.01 mg/m3 TWA Netherlands: (listed as arsenic): 0.050 mg/m3 MAC Spain: (listed as arsenic compounds, n.o.s.): 0.1 mg/m3 VLA-ED (a As) 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 minimize contact with skin.
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: Crystalline powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 160 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: SPARINGLY SOLUBLE IN WATER (20C)
Specific Gravity/Density:
Molecular Formula: C6H7AsO3
Molecular Weight: 202.04

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
None.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 98-05-5: CY3150000 LD50/LC50:
CAS# 98-05-5: Oral, mouse: LD50 = 270 ug/kg.
Carcinogenicity:
Benzenearsonic acid - IARC: Group 1 carcinogen (listed as Arsenic).
Other:
See actual entry in RTECS for complete information.

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: ORGANOARSENIC COMPOUND, N.O.S.*
Hazard Class: 6.1
UN Number: 3280
Packing Group: II
IMO
Shipping Name: ORGANOARSENIC COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3280
Packing Group: II
RID/ADR
Shipping Name: ORGANOARSENIC COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 3280
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/25 Toxic by inhalation and if swallowed.
Safety Phrases:
S 20/21 When using do not eat, drink or smoke.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 98-05-5: 3
Canada
CAS# 98-05-5 is listed on Canada's DSL List.
CAS# 98-05-5 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-05-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

苯胂酸 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):

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:1

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):57.5

7、   重原子数量:10

8、   表面电荷:0

9、   复杂度:145

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

推荐供应商更多供应商>>