4-甲基-6-甲基硫代-1,3,5-三嗪-2-胺 | 27622-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 4-甲基-6-甲基硫代-1,3,5-三嗪-2-胺
• 中文别名: 4-甲基-6-(甲巯基)-1,3,5-三嗪-2-胺；4-甲基-6-甲基硫基-1,3,5-三嗪-2-胺；1,3,5-三嗪-2-胺,4-甲基-6-(甲巯基)-；[4-甲基-6-(甲巯基)-S-三嗪-2-基]胺
• 英文名称: 2-amino-4-methyl-6-methylthio-1,3,5-triazine
• 英文别名: 2-amino-4-methyl-6-(methylthio)triazine；4-methyl-6-methylsulfanyl-[1,3,5]triazin-2-ylamine；2-amino-4-methyl-6-methylmercapto-s-triazine；4-Amino-2-methyl-6-methylmercapto-1,2,5-triazine；2-Amino-4-methyl-6-methylthio-1,3,5-triazin；4-Amino-2-methyl-6-methylthio-1,3,5-triazin；4-Methyl-6-(methylthio)-1,3,5-triazin-2-amine；4-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
• CAS: 27622-90-8
• 化学式: C₅H₈N₄S
• mdl: MFCD00052777
• 分子量: 156.211
• InChiKey: CQORBMDQIUWHGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  90
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险类别码：
  R36/37/38
• 海关编码：
  2933699090
• 安全说明：
  S26,S36/37/39

SDS

Name:	4-Methyl-6-(methylthio)-1 3 5-triazin-2-amine 97% Material Safety Data Sheet
Synonym:	2-Amino-4-methyl-6-(methylthio)-1,3,5-triazin
CAS:	27622-90-8

Section 1 - Chemical Product MSDS Name:4-Methyl-6-(methylthio)-1 3 5-triazin-2-amine 97% Material Safety Data Sheet
Synonym:2-Amino-4-methyl-6-(methylthio)-1,3,5-triazin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
27622-90-8	4-Methyl-6-(methylthio)-1,3,5-triazin-	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
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.
Notes to Physician:
Treat symptomatically and supportively.

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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.

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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.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 27622-90-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 153 - 155 deg C
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: C5H8N4S
Molecular Weight: 156

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, bases, acid chlorides, amines.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 27622-90-8: XY2905350 LD50/LC50:
Not available.
Carcinogenicity:
4-Methyl-6-(methylthio)-1,3,5-triazin-2-amine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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# 27622-90-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27622-90-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27622-90-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine 、 一氧化碳 、 4-甲基-6-甲基硫代-1,3,5-三嗪-2-胺 在 二(氰基苯)二氯化钯 作用下， 以 二氯甲烷 为溶剂， 以39%的产率得到N-(4-methyl-6-methylthio-triazin-2-yl)-5,5-dimethyl-1,3-cyclohexanedione-2-carboxamide
  参考文献：
  名称：

  (N-芳烃磺酰基)酰亚胺催化羰基化与碘鎓叶立德之间的关系

  摘要：

  通式 ArSO2N=XPhn (X = I; n = 1; X = S, Se, n = 2; X = P, As, n = 3) 的各种磺酰胺衍生物在催化羰基化反应中的反应性已通过以下结构特性来解释：基材。根据文献报道的晶体学数据，可以得出结论，磺酰亚胺的两步催化氧化羰基化仅在 N=X 双键强烈极化时进行。已发现在磺酰胺衍生物中观察到的结构要求适用于碘鎓叶立德。由二甲酮（5,5-二甲基-1,3-环己二酮）和（二乙酰氧基碘）苯制备的苯基碘甲基化物 (3a) 的催化羰基化产生了一种新的螺苯并呋喃酮衍生物 (5a)，其特征在于 X 射线单晶衍射, 1JC,C 耦合常数, 13C-T1 弛豫时间，以及通过 IR 和拉曼光谱方法。5a 的晶体为单斜晶系，空间群 P21/c，a = 7.187(1)，b = 21.129(1)，c = 10.636(1) A...

  DOI：

  10.1139/v01-074
• 作为产物：
  描述：

  三乙酰甲烷 、 氨基亚氨基硫代甲基氢碘酸 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以44%的产率得到4-甲基-6-甲基硫代-1,3,5-三嗪-2-胺
  参考文献：
  名称：

  三乙酰甲烷与单取代肼和and类似物的反应。4-乙酰基-3,5-二甲基吡唑a和1,3,5-三嗪衍生物的合成

  摘要：

  三乙酰甲烷（1）与a肼在酸性介质中反应，得到4-乙酰基3,5-二甲基吡唑a衍生物2,4。然而，1与硫代氨基脲或氨基脲的相似反应主要导致3,5-二甲基吡唑（6）。1的水解趋势很强，这是最后一个转化的原因，也是由于胍导致了2-氨基-4,6-二甲基嘧啶（10）和S-甲基异硫脲提供了出乎意料的2-氨基-的事实。 4-甲基-6-甲硫基1,3,5-三嗪（11）。

  DOI：

  10.1002/jhet.5570270608

文献信息

• KELAREV, V. I.;KARAXANOV, R. A.;MALYSHEV, V. A.;PATALAX, I. I., TEZ. DOKL. SEMIN.-SOVESHCH.-4 ZHOTREBITELI I PROIZVODITELI ORGAN. REAKTIV+
  作者：KELAREV, V. I.、KARAXANOV, R. A.、MALYSHEV, V. A.、PATALAX, I. I.

  DOI：——

  日期：——
• TSUJIKAWA TERUAKI; TSUKAMURA KAZUO; TAKEI SABURO; SIRAKAWA KENZO; CHIBA S+, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR. <YKKZ-AJ>, 1975, 95+
  作者：TSUJIKAWA TERUAKI、 TSUKAMURA KAZUO、 TAKEI SABURO、 SIRAKAWA KENZO、 CHIBA S+

  DOI：——

  日期：——
• Reactions of triacetylmethane with monosubstituted hydrazines and amidine analogues. Syntheses of 4-acetyl-3,5-dimethylpyrazole amidinohydrazone and 1,3,5-triazine derivatives
  作者：Kaname Takagi、Abdelilah Bajnati、Michel Hubert-Habart

  DOI：10.1002/jhet.5570270608

  日期：1990.9

  Triacetylmethane (1) reacts with amidinohydrazines in acidic medium to afford 4-acetyl-3,5-dimethylpyrazole amidinohydrazone derivatives 2,4. However, a similar reaction of 1 with thiosemicarbazide or semicarbazide led mainly to 3,5-dimethylpyrazole (6). The great propensity of 1 to hydrolysis accounts for this last transformation, as well as for the fact that with guanidine it led to 2-amino-4,6-dimethylpyrimidine

  三乙酰甲烷（1）与a肼在酸性介质中反应，得到4-乙酰基3,5-二甲基吡唑a衍生物2,4。然而，1与硫代氨基脲或氨基脲的相似反应主要导致3,5-二甲基吡唑（6）。1的水解趋势很强，这是最后一个转化的原因，也是由于胍导致了2-氨基-4,6-二甲基嘧啶（10）和S-甲基异硫脲提供了出乎意料的2-氨基-的事实。 4-甲基-6-甲硫基1,3,5-三嗪（11）。
• A relationship between the catalytic carbonylation of (<i>N</i>-arenesulfonyl)imides and iodonium ylides
  作者：Gábor Besenyei、András Neszmélyi、Sándor Holly、László I Simándi、László Párkányi

  DOI：10.1139/v01-074

  日期：2001.5.1

  polarized. The structural requirement observed within the sulfonamide derivatives has been found to be applicable for iodonium ylides. Catalytic carbonylation of the phenyliodonium methylide (3a) prepared from dimedone (5,5-dimethyl-1,3-cyclohexanedione) and (diacetoxyiodo)benzene, resulted in a new spirobenzofuranone derivative (5a) which was characterized by X-ray single crystal diffraction, 1JC,C coupling

  通式 ArSO2N=XPhn (X = I; n = 1; X = S, Se, n = 2; X = P, As, n = 3) 的各种磺酰胺衍生物在催化羰基化反应中的反应性已通过以下结构特性来解释：基材。根据文献报道的晶体学数据，可以得出结论，磺酰亚胺的两步催化氧化羰基化仅在 N=X 双键强烈极化时进行。已发现在磺酰胺衍生物中观察到的结构要求适用于碘鎓叶立德。由二甲酮（5,5-二甲基-1,3-环己二酮）和（二乙酰氧基碘）苯制备的苯基碘甲基化物 (3a) 的催化羰基化产生了一种新的螺苯并呋喃酮衍生物 (5a)，其特征在于 X 射线单晶衍射, 1JC,C 耦合常数, 13C-T1 弛豫时间，以及通过 IR 和拉曼光谱方法。5a 的晶体为单斜晶系，空间群 P21/c，a = 7.187(1)，b = 21.129(1)，c = 10.636(1) A...