硫酸氧钒(Ⅳ)水合物

硫酸氧钒(Ⅳ)水合物 基本信息
CAS号 12439-96-2 分子式 H2O10SV
分子量 245.01600 精确质量  244.88100
PSA  114.94000 LogP  -0.65000

等价的CAS号:

21255-94-7,81211-27-0,14708-82-8,12439-96-2

基本信息 展开↓

CAS号:
12439-96-2
3D弹球模型:
立即前往扯扯看
分子式:
H2O10SV
分子量:
245.01600
中文名称:
硫酸氧钒(Ⅳ)水合物
英文名称:
Vanadyl(IV) sulfate hydrate
中文别名:
硫酸氧钒(Ⅳ)水合物;
硫酸氧化钒
英文别名:
Vanadyl(IV) sulfate hydrate;
VANADYL SULFATE HYDRATE;
VANADIUM(IV) OXIDE SULFATE HYDRATE;
VANADIUM(IV)-OXIDE SULFATE 5-HYDRATE;
VANADIUM,OXO[SULFATO(2-)-KO]-,HYDRATE (1:5);
VANADIUM (IV) OXIDE SULFATE HYDRATE
精确分子量/精确质量:
244.88100
极性分子表面积/PSA:
114.94000
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。
EINECS:
248-652-7
InChI:
InChI=1/H2O4S.5H2O.O.V/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);5*1H2;;/q;;;;;;;+2/p-2/rH2O4S.OV.5H2O/c1-5(2,3)4;1-2;;;;;/h(H2,1,2,3,4);;5*1H2/q;+2;;;;;/p-2

物化性质展开↓

熔点:
105 °C(lit.)
沸点:
330ºC at 760 mmHg
蒸汽压:
3.35E-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):105

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↓

包装等级:
II
风险类别:
6.1
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S36
危险标志:
Xn

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YW1840000
CHEMICAL NAME :
Vanadium, oxosulfato-, pentahydrate
CAS REGISTRY NUMBER :
12439-96-2
LAST UPDATED :
199607
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
O5-S-V.5H2-O
MOLECULAR WEIGHT :
253.10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
448 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 23,227,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
74 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 23,227,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
467 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 23,227,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
113 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 23,227,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
612 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 62,203,1990 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
375 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - maternal-fetal exchange Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 10,181,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
375 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 10,181,1990
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: Vanadyl(IV)-sulfate hydrate 17-23% Vanadium Material Safety Data Sheet
Synonym: Oxysulfato vanadium (IV) hydrate; Vanadium oxysulfate; Oxo[sulfato(2-)-O]-Vanadium; Vanadyl (IV) sulfate; Oxysulfato vanadium (IV); Vanadium (IV) sulfate oxide; Vanadyl(IV)-sulfate hydrat
CAS: 12439-96-2
Section 1 - Chemical Product   MSDS Name:Vanadyl(IV)-sulfate hydrate 17-23% Vanadium Material Safety Data Sheet
Synonym:Oxysulfato vanadium (IV) hydrate; Vanadium oxysulfate; Oxo[sulfato(2-)-O]-Vanadium; Vanadyl (IV) sulfate; Oxysulfato vanadium (IV); Vanadium (IV) sulfate oxide; Vanadyl(IV)-sulfate hydrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
12439-96-2 Vanadyl(IV)-sulfate hydrate 100 unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Vanadium compounds can cause polycythemia (an increase in the total red cell mass of the blood), followed by red blood cell destruction, anemia, loss of appetite, pallor, and emaciation. May cause greenish-black tongue discoloration due to deposition of vanadium salts.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed. May produce scattered allergy-like eczematous skin lesions symptomatic of vanadium toxicity.

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.
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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 12439-96-2: CAS# 27774-13-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: blue
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: O5SV.xH2O
Molecular Weight: 163.00

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Chlorine, lithium, strong acids, strong oxidizing agents.
Hazardous Decomposition Products:
Oxides of sulfur, irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 12439-96-2: YW1840000 CAS# 27774-13-6: YW1925000 LD50/LC50:
CAS# 12439-96-2: Oral, mouse: LD50 = 467 mg/kg; Oral, mouse: LD50 = 467 mg/kg; Oral, rat: LD50 = 448 mg/kg; Oral, rat: LD50 = 448 mg/kg.
CAS# 27774-13-6: Skin, rabbit: LD50 = 4450 mg/kg.
Carcinogenicity:
Vanadyl(IV)-sulfate hydrate - Not listed by ACGIH, IARC, or NTP.
Vanadyl sulfate - Not listed by ACGIH, IARC, or NTP.
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: VANADYL SULPHATE
Hazard Class: 6.1
UN Number: 2931
Packing Group: II
IMO
Shipping Name: VANADYL SULPHATE
Hazard Class: 6.1
UN Number: 2931
Packing Group: II
RID/ADR
Shipping Name: VANADYL SULPHATE
Hazard Class: 6.1
UN Number: 2931
Packing group: II
USA RQ: CAS# 27774-13-6: 1000 lb final RQ; 454 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 12439-96-2: No information available.
CAS# 27774-13-6: No information available.
Canada
CAS# 27774-13-6 is listed on Canada's DSL List.
CAS# 12439-96-2 is not listed on Canada's Ingredient Disclosure List.
CAS# 27774-13-6 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 12439-96-2 is not listed on the TSCA inventory.
It is for research and development use only.
CAS# 27774-13-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:5

3.氢键受体数量:10

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积111

7.重原子数量:12

8.表面电荷:0

9.复杂度:64.2

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:7

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