sodium 1-methyl-1H-tetrazole-5-thiolate | 51138-06-8

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: sodium 1-methyl-1H-tetrazole-5-thiolate
• 英文别名: 5-mercapto-1-methyltetrazole sodium salt；sodium 1-methyltetrazole-5-thiolate；sodium 5-mercapto-1-methyltetrazole；5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, sodium salt；sodium;1-methyl-1,3,4-triaza-2-azanidacyclopent-3-ene-5-thione
• CAS: 51138-06-8
• 化学式: C₂H₃N₄S*Na
• 分子量: 138.128
• InChiKey: OUHLMDFGPKSIAL-UHFFFAOYSA-M

物化性质

• 熔点：
  90-93°C

计算性质

• 辛醇/水分配系数(LogP)：
  -3.88
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 安全说明：
  S24/25

SDS

Name:	1-Methyl-5-mercaptotetrazole sodium salt dihydrate Material Safety Data Sheet
Synonym:	5H-Tetrazole-5-thione,1,2-dihydro-1-methyl, sodium salt; Sodium 1-methyl-1H-tetrazole-5-thiolate
CAS:	51138-06-8

Section 1 - Chemical Product MSDS Name:1-Methyl-5-mercaptotetrazole sodium salt dihydrate Material Safety Data Sheet
Synonym:5H-Tetrazole-5-thione,1,2-dihydro-1-methyl, sodium salt; Sodium 1-methyl-1H-tetrazole-5-thiolate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51138-06-8	5h-tetrazole-5-thione, 1,2-dihydro-1-m	100.0	257-006-3

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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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:
May cause irritation of the digestive tract. 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:
No information found.

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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 immediately.
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:
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:
Antidote: None reported.

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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 water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Avoid generating dusty conditions. Provide ventilation.

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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.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51138-06-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 91.00 - 92.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C2H3N4SNa.2H2O
Molecular Weight: 174.15

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51138-06-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5h-tetrazole-5-thione, 1,2-dihydro-1-methyl-,sodium salt - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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# 51138-06-8: No information available.
Canada
CAS# 51138-06-8 is listed on Canada's NDSL List.
CAS# 51138-06-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51138-06-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  sodium 1-methyl-1H-tetrazole-5-thiolate 生成 (6R,7R)-7-[(5-amino-5-carboxypentanoyl)amino]-7-formamido-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  IMAI, HARUMITSU;SUZUKI, KEN-ICHI;NAGAI, KOJI;MIYAZAKI, SHIGERU;ABE, KENJI+

  摘要：

  DOI：
• 作为产物：
  描述：

  1-甲基-5-巯基-1H-四氮唑 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 sodium 1-methyl-1H-tetrazole-5-thiolate
  参考文献：
  名称：

  Improved efficiency of CdS quantum dot sensitized solar cell with an organic redox couple and a polymer counter electrode

  摘要：

  DOI：

  10.1016/j.electacta.2014.06.072

文献信息

• [EN] 1,5-DISTRIBUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TEATMENT OF EYE DISEASES SUCH AS GLAUCOMA<br/>[FR] DERIVES DE PYRROLID-2-ONE 1,5 DISUBSTITUES UTILISES COMME AGONISTES DE RECEPTEUR EP4 POUR TRAITER DES MALADIES OCULAIRES TELLES QUE LE GLAUCOME
  申请人：MERCK FROSST CANADA INC

  公开号：WO2003103772A1

  公开（公告）日：2003-12-18

  This invention relates to potent selective agonists of the EP4 subtype of prostaglandin E2 receptors of formula (I), their use or a formulation thereof in the treatment of glaucoma and other conditions which are related to elevated intraocular pressure in the eye of the patient.

  这项发明涉及强效选择性的前列腺素E2受体EP4亚型的激动剂，其化学公式为（I），以及它们在治疗青光眼和其他与患者眼睛内压升高相关的病症中的使用或其制剂。
• Carbapenem and penem antibiotics. III. Synthesis and antibacterial activity of 2-functionalized-methyl penems related to asparenomycins.
  作者：MITSURU IMUTA、SHOICHIRO UYEO、MASAO NAKANO、TADASHI YOSHIDA

  DOI：10.1248/cpb.33.4371

  日期：——

  Racemic and optically active 2-(heteroaromatic) thiomethyl penems having a 1-(hydroxymethyl) ethylidene or cyclic carbonate side-chain at C-6 (24, 51, 63, 65, 37, 40, 69 and 21b, 61b, 26b, 30b, 64b, 35b, 66b, 39b, 68b) were synthesized, and their antibacterial activities are determined.

  合成了具有C-6位1-(羟甲基)亚乙基或环状碳酸酯侧链的R构型和光学活性2-(杂芳基)硫代甲基青霉烯（24、51、63、65、37、40、69以及21b、61b、26b、30b、64b、35b、66b、39b、68b），并测定了它们的抗菌活性。
• Heterocyclthio compounds, process for their manufacture, pharmaceutical
  申请人：Ciba-Geigy Corporation

  公开号：US04616007A1

  公开（公告）日：1986-10-07

  2-heterocyclythio-lower alkyl-2-penem compounds of the formula ##STR1## in which R.sub.1 represents hydrogen or methyl, R.sub.2 represents an optionally protected hydroxy group, R.sub.3 represents carboxy or protected carboxy R.sub.3 ', R.sub.4 represents an unsaturated monocyclic heterocyclyl radical that is bonded via a ring carbon atom to the sulphur atom, and m is 2, 3 or 4, and salts of such compounds of the formula I that have a salt-forming group, optical isomers of compounds of the formula I and mixtures of these optical isomers, possess antibiotic properties. The compounds are manufactured according to processes known per se.

  公式为##STR1##的2-杂环硫代低烷基-2-青霉素类化合物，其中R.sub.1代表氢或甲基，R.sub.2代表一个可选择保护的羟基，R.sub.3代表羧基或保护的羧基R.sub.3'，R.sub.4代表通过环碳原子与硫原子键合的不饱和单环杂环基团，m为2、3或4，以及具有形成盐的基团的公式I的这种化合物的盐，公式I的化合物的光学异构体以及这些光学异构体的混合物，具有抗生素性质。这些化合物是根据已知的工艺制造的。
• .beta.-lactam derivatives of the cephem sulphone type
  申请人：Farmitalia Carlo Erba S.R.L.

  公开号：US05348952A1

  公开（公告）日：1994-09-20

  Cephalosporins of the formula (I): ##STR1## wherein m is one or two; n is zero, one or two; A and B are organic residues; and R.sub.1 and R.sub.2 are halogen or hydrogen atoms or organic groups are endowed with elastase inhibitory activity. Two processes for their preparation starting from the corresponding 4-acyl cephem are also provided.

  式(I)的头孢菌素类：##STR1##其中m为1或2；n为0、1或2；A和B为有机残基；R1和R2为卤素或氢原子或有机基团，具有弹性酶抑制活性。还提供了从相应的4-酰基头孢烯制备它们的两种工艺。
• Carbapenem and penem antibiotics. IV. Synthesis and antibacterial activity of (5R*,6S*)-6-((R*)-1-hydroxyethyl)-2-functionalized-methyl carbapenem and penem derivatives.
  作者：HISAO ONA、SHOICHIRO UYEO、TAKASHI FUKAO、MASAYOSHI DOI、TADASHI YOSHIDA

  DOI：10.1248/cpb.33.4382

  日期：——

  Racemic 2-acetoxymethyl and 2-(heteroaromatic) thiomethyl carbapenem and penem antibiotics having a 1-(R*)-hydroxyethyl side-chain at C-6 (6, 7, 8, and 45, 59, 47, 49, 51) were synthesized, and their antibacterial activities were determined.

  合成了R enantiomer的2-乙酰氧基甲基和2-(杂环芳香)硫甲基的碳青霉烯和青霉素抗生素，这些化合物在C-6位上具有1-(R*)-羟基乙基侧链（6, 7, 8，以及45, 59, 47, 49, 51），并测定了它们的抗菌活性。