4-差向脱水四环素盐酸盐

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
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  • 下游产品

4-差向脱水四环素盐酸盐 基本信息

中文名称:
4-差向脱水四环素盐酸盐 
中文别名:
4-差向脱水四环素 盐酸盐;
4-差向脱水四环素 
英文名称:
4-Epianhydrotetracycline hydrochloride
英文别名:
(4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide,hydrochloride;
4-Epianhydrotetracycline HCl;
4-Epianhydrotetracycline hydrochloride 
CAS No.:
4465-65-0
分 子 式:
C22H23ClN2O7
分 子 量:
462.88
精确分子量:
462.11900
PSA:
161.39000
MDL:
MFCD00151455
BRN:
3840711
InChI:
The Key: XBSQEFHDCDFNJU-YBAJZDDESA-N
危险品标志:
Xn
风险术语:
R22R36R63
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

4-差向脱水四环素盐酸盐 物化性质

熔点:
220ºC
沸点:
618.6ºC at 760 mmHg
闪点:
327.9ºC
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。避免阳光直射,常用氩气保护。

稳定性相关:

对空气,光照敏感。吸收湿空气和空气中的水分。

4-差向脱水四环素盐酸盐 安全信息

危险类别码:
63-36-22
安全说明:
36/37/39-26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn

4-差向脱水四环素盐酸盐 MSDS

Name: 4-Epi-Anhydrotetracycline Hydrochloride "Can be used as Secondary Material Safety Data Sheet
Synonym: None known
CAS: 4465-65-0
Section 1 - Chemical Product   MSDS Name:4-Epi-Anhydrotetracycline Hydrochloride "Can be used as Secondary Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4465-65-0 4-Epianhydrotetracycline Hydrochloride 97% unlisted
Hazard Symbols: XN
Risk Phrases: 63

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Possible risk of harm to the unborn child.The toxicological properties of this material have not been fully investigated.Light sensitive.Moisture sensitive.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated.
Chronic:
May cause liver and kidney damage. May cause reproductive and fetal effects.

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:

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. Do NOT get water inside containers. 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. Place under an inert atmosphere. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Store protected from light. Handle under an inert atmosphere. Store protected from air. Do not allow contact with water. Store and handle protected from air. Keep from contact with moist air and steam.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from moisture. Store protected from light.
Store under an inert atmosphere.

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# 4465-65-0: 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: Powder
Color: orange
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 220 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 220 deg C
Solubility in water: in water: 1:1100 m/v
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 464.89

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, moisture, exposure to air, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, air.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4465-65-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Epianhydrotetracycline Hydrochloride - 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
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: XN
Risk Phrases:
R 63 Possible risk of harm to the unborn child.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
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# 4465-65-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4465-65-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4465-65-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-差向脱水四环素盐酸盐 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):无

2.氢键供体数量:6

3.氢键受体数量:8

4.可旋转化学键数量:2

5.互变异构体数量:708

6.拓扑分子极性表面积161

7.重原子数量:32

8.表面电荷:0

9.复杂度:855

10.同位素原子数量:0

11.确定原子立构中心数量:3

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:2

4-差向脱水四环素盐酸盐 上游产品

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