hematin

物化性质

外观与性状：

暗晶体带有金属光泽

熔点：

180ºC

沸点：

1128.5ºC at 760 mmHg

闪点：

636.3ºC

蒸汽压：

0mmHg at 25°C

存储条件/存储方法：

密封4°干燥保存。

稳定性相关：

常温常压下稳定

避免的物料： 氧化物

其它信息：

1.性状：蓝色至棕黑色粉末

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）：180

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：溶于氢氧化碱溶液、热乙醇或氨，微溶于热吡啶，不溶于水、乙醚和氯仿

安全信息

外观与性状：

暗晶体带有金属光泽

熔点：

180ºC

沸点：

1128.5ºC at 760 mmHg

闪点：

636.3ºC

蒸汽压：

0mmHg at 25°C

存储条件/存储方法：

密封4°干燥保存。

稳定性相关：

常温常压下稳定

避免的物料： 氧化物

其它信息：

1.性状：蓝色至棕黑色粉末

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）：180

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：溶于氢氧化碱溶液、热乙醇或氨，微溶于热吡啶，不溶于水、乙醚和氯仿

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

NO6725000

CHEMICAL NAME :

Iron, (dihydrogen 3,7,12,17-tetramethyl-8,13-pinyl-2,18-porphinedipro pionato(2-))-hydroxy-

CAS REGISTRY NUMBER :

15489-90-4

LAST UPDATED :

199106

DATA ITEMS CITED :

2

MOLECULAR FORMULA :

C34-H31-Fe-N4-O5.2H

MOLECULAR WEIGHT :

633.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

40 mg/kg/30D-I

TOXIC EFFECTS :

Cardiac - pulse rate increase, without fall in BP Vascular - BP elevation not characterized in autonomic section Nutritional and Gross Metabolic - body temperature increase

REFERENCE :

AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 101,877,1984

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

43 mg/kg

TOXIC EFFECTS :

Vascular - BP lowering not characterized in autonomic section Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - hemorrhage

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 2,329,1978

毒理学数据：

急性毒性：小鼠静脉LD50:43mg/kg

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS

Name:	HEMATIN FROM BOVINE BLOOD Material Safety Data Sheet
Synonym:
CAS:	15489-90-4

Section 1 - Chemical Product   MSDS Name:HEMATIN FROM BOVINE BLOOD Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
15489-90-4	HEMATIN, FROM BOVINE BLOOD		239-518-9

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:
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:
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.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 15489-90-4: 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: Solid
Color: black
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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:
Molecular Weight:
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Unstable.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 15489-90-4: NO6725000 LD50/LC50:
Not available.
Carcinogenicity:
HEMATIN, FROM BOVINE BLOOD - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
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# 15489-90-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15489-90-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15489-90-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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：3

3、氢键受体数量：9

4、可旋转化学键数量：8

5、互变异构体数量：

6、拓扑分子极性表面积（TPSA）：102

7、重原子数量：44

8、表面电荷：0

9、复杂度：1580

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：3