L-甲状腺素 钠盐 五水合物

L-甲状腺素 钠盐 五水合物 基本信息
CAS号 6106-07-6 分子式 C15H20I4NNaO9
分子量 888.92800 精确质量 　888.72100
PSA 　141.76000 LogP 　3.60140
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
6106-07-6
分子式：
C15H20I4NNaO9
分子量：
888.92800
中文名称：
L-甲状腺素 钠盐 五水合物
英文名称：
L-Thyroxine sodium salt pentahydrate
中文别名：
L-甲状腺素 钠盐 五水合物;
左旋甲状腺素钠五水合物
英文别名：
L-Thyroxine sodium salt pentahydrate;
sodium,(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate,pentahydrate
精确分子量/精确质量：
888.72100
极性分子表面积/PSA：
141.76000
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：
MFCD00149110
EINECS：
200-221-4
PubChem：
24899887
BRN：
5721845

物化性质展开↓

密度：
2.381
熔点：
207-210 (dec.)(lit.)
其它信息：

1.       性状：粉末。

2.       密度（g/mL,25/4℃）：2.381

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

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。

 

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
40
安全说明：
S22-S24/25
RTECS号：
YP2833760
安全标志：
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志：
Xn

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YP2833760
CHEMICAL NAME :
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, sodium salt, pentahydrate
CAS REGISTRY NUMBER :
6106-07-6
LAST UPDATED :
199504
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H10-I4-N-O4.Na.5H2-O
MOLECULAR WEIGHT :
888.95

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1 mg/kg
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 139,275,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2466 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 399 (estimated) No. of Female Employees: 308 (estimated)
毒理学数据：

繁殖数据：小鼠皮下最低剂量TDLo：1mg/kg，母鼠受孕后1-20天用。生殖-母体效应-其他影响生殖-对胚胎或胎儿-其他影响胚胎。

MSDS 展开↓

Name: L-Thyroxine Sodium Salt Pentahydrate 99% Material Safety Data Sheet
Synonym: L-Thyroxine, Sodium Salt, Pentahydrate; L-3,3',5,5'-Tetraiodothyronine sodium salt; Eferox, Laevoxin; Letter; Levaxin; Levothroid
CAS: 6106-07-6
Section 1 - Chemical Product   MSDS Name:L-Thyroxine Sodium Salt Pentahydrate 99% Material Safety Data Sheet
Synonym:L-Thyroxine, Sodium Salt, Pentahydrate; L-3,3',5,5'-Tetraiodothyronine sodium salt; Eferox, Laevoxin; Letter; Levaxin; Levothroid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6106-07-6 L-Thyroxine, Sodium Salt Pentahydrate 99 unlisted
Hazard Symbols: XN
Risk Phrases: 20/21
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.
Potential Health Effects
Eye:
May cause severe eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause thyroid abnormalities. Ingestion increases the metabolic rate causing warm, flushed and moist skin, muscular weakness, rapid heart rate, insomnia, nervousness, increased metabolism and weight loss. Effects may be delayed.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion.
Chronic:
Chronic exposure can lead to iodism characterized by salivation, nasal discharge, sneezing, conjunctivitis, fever, laryngitis, bronchitis, stomatitis, and skin rashes.
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 if irritation develops or persists. Wash clothing before reuse. Flush skin with plenty of soap and water.
Ingestion:
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 immediately.
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. Dusts at sufficient concentrations can form explosive mixtures with air. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use alcohol foam, carbon dioxide, or water spray when fighting fires involving this material.
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. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Hormones and antibiotics room. Keep containers tightly closed.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6106-07-6: 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: Solid
Color: beige grey
Odor: Odorless.
pH: Not available.
Vapor Pressure: Neglilible.
Viscosity: Not available.
Boiling Point: Not applicable.
Freezing/Melting Point: Decomposes.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 207-210 deg C
Solubility in water: Soluble in water.
Specific Gravity/Density: 2.381
Molecular Formula: C15H10I4NO4Na.5H2O
Molecular Weight: 888.7491
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, oxidizers.
Incompatibilities with Other Materials:
Explosion hazard when mixed with strong oxidizers.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide, iodide ions (I-).
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6106-07-6: YP2833760 LD50/LC50:
Not available.
Carcinogenicity:
L-Thyroxine, Sodium Salt Pentahydrate - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 6106-07-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6106-07-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6106-07-6 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展开↓

分子结构数据

1、摩尔折射率：无可用的

2、摩尔体积（cm3/mol）：无可用的

3、等张比容（90.2K）：无可用的

4、表面张力（dyne/cm）：无可用的

5、介电常数：无可用的

6、极化率（10-24cm3）：无可用的

7、单一同位素质量：888.721416Da

8、标称质量：889Da

9、平均质量：888.9282Da

计算化学数据

1、   疏水参数计算参考值（XlogP）：

2、   氢键供体数量：7

3、   氢键受体数量：10

4、   可旋转化学键数量：5

5、   互变异构体数量：2

6、   拓扑分子极性表面积（TPSA）：101

7、   重原子数量：30

8、   表面电荷：0

9、   复杂度：426

10、   同位素原子数量：0

11、   确定原子立构中心数量：1

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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