3-联氨基-7-甲氧基-1，2，4-苯并三嗪 | 75122-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-联氨基-7-甲氧基-1，2，4-苯并三嗪
• 中文别名: 3-肼基-7-甲氧基-1,2,4-苯并三嗪
• 英文名称: 3-hydrazino-7-methoxy[1,2,4]benzotriazine
• 英文别名: 3-hydrazino-7-methoxy-1,2,4-benzotriazine；(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazine
• CAS: 75122-37-1
• 化学式: C₈H₉N₅O
• mdl: MFCD00171560
• 分子量: 191.192
• InChiKey: OXMIZPFVOATHOH-UHFFFAOYSA-N

物化性质

• 熔点：
  238 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  86
• 氢给体数：
  2
• 氢受体数：
  6

SDS

Name:	3-Hydrazino-7-methoxy-1 2 4-benzotriazine 97% Material Safety Data Sheet
Synonym:
CAS:	75122-37-1

Section 1 - Chemical Product MSDS Name:3-Hydrazino-7-methoxy-1 2 4-benzotriazine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
75122-37-1	3-Hydrazino-7-methoxy-1,2,4-benzotriaz	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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# 75122-37-1: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 238 - 240 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H9N5O
Molecular Weight: 191

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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, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 75122-37-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydrazino-7-methoxy-1,2,4-benzotriazine - 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
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

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 75122-37-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 75122-37-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 75122-37-1 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：

  3-联氨基-7-甲氧基-1，2，4-苯并三嗪 、 原乙酸三乙酯 在 乙醚 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以to give 7-methoxy-1-methyl[1,2,4]triazolo[3,4-c][1,2,4]benzotriazine (Compound Number 1, 0.5 g, 88% yield), 1H-NMR (300 MHz; CDCl3): 8.14 ppm (d, 1H, H-9); 8.14 ppm (d, 1H, H-9); 7.62 ppm (dd, 1H, H-8); 4.05 ppm (s, 3H, OMe); 3.19 ppm (s, 1H, CH3) (Compound no的产率得到7-Methoxy-1-methyl[1,2,4]triazolo(3,4-c][1,2,4]benzotriazine
  参考文献：
  名称：

  Use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation

  摘要：

  本发明涉及使用式(I)化合物或其盐，其中A-W、X、Y、Z、R1、R2、R3和R4在说明书中定义，作为除草剂或植物生长调节剂，用于控制不良植物或植被，以及其化合物和组合物的制备方法。

  公开号：

  US20070042909A1
• 作为产物：
  描述：

  1-苯甲酰基-3-(4-甲氧基-2-硝基苯基)硫脲 在 sodium hydroxide 、 一水合肼 作用下， 以 水 、 正丁醇 为溶剂， 反应 3.67h， 生成 3-联氨基-7-甲氧基-1，2，4-苯并三嗪
  参考文献：
  名称：

  Messmer; Hajos Gy.; Benko, Acta Chimica Academiae Scientiarum Hungaricae, 1980, vol. 103, # 2, p. 123 - 133

  摘要：

  DOI：

文献信息

• The use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation
  申请人：Bayer CropScience GmbH

  公开号：EP1502918A1

  公开（公告）日：2005-02-02

  The use of fused ring-1,2,4-benzotriazine derivatives as herbicides or plant growth regulators for the control of undesired plants or vegetation, compounds and compositions thereof, and processes for their preparation. The invention relates to the use of a compound of the formula (I) or a salt thereof: wherein A-W, X, Y, Z, R1, R2, R3 and R4 are defined in the description, as herbicides or plant growth regulators for the control of undesired plants or vegetation, to compounds and compositions thereof, and to processes for their preparation.

  将融合环1,2,4-苯并三氮杂环衍生物用作除草剂或植物生长调节剂，用于控制不受欢迎的植物或植被，以及这些化合物和组合物的制备方法。本发明涉及使用以下化合物的盐的公式(I)：其中A-W、X、Y、Z、R1、R2、R3和R4如描述中所定义，作为除草剂或植物生长调节剂，用于控制不受欢迎的植物或植被，以及这些化合物和组合物的制备方法。
• Unexpected valence bond isomerization of [1,2,4]triazolo[3,4-c][1,2,4]benzotriazines under flash vacuum pyrolytic (fvp) conditions
  作者：Walter J. Peláez、Gloria I. Yranzo、Csilla Gróf、Zsuzsanna Riedl、György Hajós

  DOI：10.1016/j.tet.2005.05.047

  日期：2005.8

  to 525 °C was the unexpected valence bond isomerization of the angularly fused starting compounds to the isomeric linearly fused [1,2,4]triazolo[4,3-b][1,2,4]benzotriazine derivatives (9a–d), whereas at higher temperatures fragmentation products such as aromatic nitriles were also formed. Kinetic measurements revealed negative entropies of activation in the isomerization process, which suggest a concerted

  在450至600°C之间研究了某些取代的[1,2,4]三唑[3,4- c ] [1,2,4]苯并三嗪衍生物（1a – d）的快速真空热解（fVP）。在高达525°C的温度下观察到的唯一转变是有角度融合的起始化合物的意外价键异构化为线性异构的[1,2,4] triazolo [4,3- b ] [1,2,4]苯并三嗪衍生物异构体（9a – d），而在较高的温度下也会形成碎片，例如芳族腈。动力学测量揭示了异构化过程中活化的负熵，这表明对中间抗芳族二嗪有协同的闭环反应。FVP实验也证明了标题异构化反应的可逆性。
• Design, synthesis and antimalarial activity of a glyoxylylhydrazone library
  作者：A. Ryckebusch、J.-S. Fruchart、L. Cattiaux、P. Rousselot-Paillet、V. Leroux、O. Melnyk、P. Grellier、E. Mouray、C. Sergheraert、P. Melnyk

  DOI：10.1016/j.bmcl.2004.06.056

  日期：2004.9

  Synthesis of a new family of quinolylhydrazone derivatives and evaluation of their activity against a chloroquine-resistant strain of Plasmodium falciparum are described. The best compound displayed an activity 6-fold higher than chloroquine. None of the active compounds were found to inhibit beta-hematin formation in vitro in the same range as chloroquine and five among them displayed lower calculated vacuolar accumulation ratios, suggesting the implication of a different mechanism of action. (C) 2004 Elsevier Ltd. All rights reserved.
• MESSMER A.; HAJOS G.; BENKO P.; PALLOS L., ACTA CHIM. ACAD. SCI. HUNG., 1980, 103, NO 2, 123-133
  作者：MESSMER A.、 HAJOS G.、 BENKO P.、 PALLOS L.

  DOI：——

  日期：——
• MESSMER A.; HAJOS GY.; BENKO P.; PALLOS L., MAGY. KEM. FOLYOIRAT, 1980, 86, NO 10, 466-470
  作者：MESSMER A.、 HAJOS GY.、 BENKO P.、 PALLOS L.

  DOI：——

  日期：——