磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛

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

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 基本信息

中文名称:
磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 
中文别名:
磷酸吡哆醛;
磷酸-5'-吡哆醛;
3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛;
吡哆醛-5-磷酸;
吡多醛-5-磷酸酯;
3-羟基-2-甲基-5-[(膦酰氧基)甲基]-4-吡啶甲醛;
辅去羧酶;
PYRID氧杂L-5'-磷酸酯 
英文名称:
Piodel
英文别名:
pyridoxal 5'-phosphate;
Isonicotinaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, 5-(dihydrogen phosphate);
Pyridoxal phosphate 
CAS No.:
54-47-7
分 子 式:

C8H10NO6P

分 子 量:
247.14
精确分子量:
247.02500
PSA:
126.76000
EINECS:
200-208-3
InChI:
The Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N
危险品标志:

 

风险术语:
S22;S24/25
安全术语:
S22;S24/25
分子结构式:
SDS:
查看

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 制备方法及用途

制备方法

维生素B6的主体药物,适用于治疗急慢性湿疹、皮肤炎、荨麻诊、脓疱疹、搔痒症、脂溢性湿疹、鳞屑疹、药疹、口角炎、口唇炎、舌炎、妊娠反应、哮喘等。

用途简介

用途

维生素B6的主体药物,适用于治疗急慢性湿疹、皮肤炎、荨麻诊、脓疱疹、搔痒症、脂溢性湿疹、鳞屑疹、药疹、口角炎、口唇炎、舌炎、妊娠反应、哮喘等。

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 物化性质

外观与性状:
淡黄色粉末
密度:
1.638g/cm3
熔点:
140-143ºC
沸点:
565.7ºC at 760mmHg
闪点:
296ºC
存储条件/存储方法:

 本品应密封于4干燥避光保存。

其它信息:

1.       性状:类白色或黄色粉末, 溶于稀酸中为无色,在碱中为黄色。几乎无臭、无味。

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):140-143

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:微溶于醇,溶于200份水,不溶于氯仿、苯、丙酮、乙醚。在避光冷处稳定。

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 安全信息

海关代码:
2936250000
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
22-24/25

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV1207000
CHEMICAL NAME :
Pyridoxal, 5-(dihydrogen phosphate)
CAS REGISTRY NUMBER :
54-47-7
LAST UPDATED :
199701
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C8-H10-N-O6-P
MOLECULAR WEIGHT :
247.16
WISWESSER LINE NOTATION :
T6NJ B1 CQ DVH E1OPQQO

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 :
5900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
850 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4640 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
870 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Behavioral - antipsychotic
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
50 umol/L
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 34,530,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3949 No. of Facilities: 577 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 5538 (estimated) No. of Female Employees: 3978 (estimated)
毒理学数据:

1、急性毒性:大鼠经口LD505900 mg/kg;大鼠皮下LD50850 mg/kg;小鼠经口LD504640mg/kg;小鼠皮下:870 mg/kg

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 MSDS

Name: Pyridoxal 5-Phosphate 99% (Titr.) Material Safety Data Sheet
Synonym: 3-Hydroxy-2-Methyl-5-(Phosphonoxy)-4-Pyridinecarboxaldehyde; 1-Iodohexadecane
CAS: 54-47-7
Section 1 - Chemical Product   MSDS Name:Pyridoxal 5-Phosphate 99% (Titr.) Material Safety Data Sheet
Synonym:3-Hydroxy-2-Methyl-5-(Phosphonoxy)-4-Pyridinecarboxaldehyde; 1-Iodohexadecane

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54-47-7 4-Pyridinecarboxaldehyde,3-Hydroxy-2-M 99 200-208-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. Low hazard for usual industrial handling.
Inhalation:
May cause respiratory tract irritation. Low hazard for usual industrial handling.
Chronic:
None

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. If irritation develops, get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Get medical aid if irritation or symptoms occur.
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 if cough or other symptoms appear.
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. 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. No special precautions indicated. Store protected from light.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 54-47-7: 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:
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: Powder
Color: light yellow
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: C8H10NO6P
Molecular Weight: 247.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, oxides of potassium.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 54-47-7: UV1207000 LD50/LC50:
CAS# 54-47-7: Oral, mouse: LD50 = 4640 mg/kg; Oral, rat: LD50 = 5900 mg/kg.
Carcinogenicity:
4-Pyridinecarboxaldehyde,3-Hydroxy-2-Methyl-5-(Phosphonooxy) - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 54-47-7: 1
Canada
CAS# 54-47-7 is listed on Canada's DSL List.
CAS# 54-47-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54-47-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 海关数据

中国海关编码:2936250000

申报要素:
品名, 成分含量, 用途, 包装, 是否吸附于载体(如硅胶)
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary:
HS: 2936250000. (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol. VAT:17.0%. tax rebate rate:13.0%. supervision conditions:ab(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tarrif:4.0%. general tariff:20.0%

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 分子结构与计算化学数据

分子结构数据

 

1、   摩尔折射率:54.40

2、   摩尔体积(m3/mol):150.8

3、   等张比容(90.2K):461.1

4、   表面张力(dyne/cm):87.3

5、   极化率10-24cm3):21.56

计算化学数据

1.疏水参数计算参考值(XlogP):-1.1

2.氢键供体数量:3

3.氢键受体数量:7

4.可旋转化学键数量:4

5.互变异构体数量:4

6.拓扑分子极性表面积117

7.重原子数量:16

8.表面电荷:0

9.复杂度:292

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

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 下游产品

磷酸吡哆醛; 吡多醛-5-磷酸酯; 3-羟基-2-甲基-5-[(磷酰氧基)甲基]-4-吡啶甲醛 表征图谱

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