甲醛肟盐酸盐 | 3473-11-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 甲醛肟盐酸盐
• 中文别名: 盐酸甲醛肟
• 英文名称: formaldoxime hydrochloride
• 英文别名: Hydroxy(methylidene)azanium;chloride；hydroxy(methylidene)azanium;chloride
• CAS: 3473-11-8
• 化学式: CH₃NO*ClH
• 分子量: 81.5019
• InChiKey: ZNGCJNWNSDXSQQ-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  在常温常压下稳定，这种物质呈现为白色棱形结晶性粉末。它易溶于水和甲醇，而不溶于乙醚。其熔点为136℃。具有刺激性。

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.6
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2928000090

SDS

Name:	Formaldoxime hydrochloride 99% (titr.) Material Safety Data Sheet
Synonym:
CAS:	3473-11-8

Section 1 - Chemical Product MSDS Name:Formaldoxime hydrochloride 99% (titr.) Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3473-11-8	Formaldehyde oxime hydrochloride	99.0	222-440-4

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:
Dust may cause mechanical irritation.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated. May cause central nervous system effects.
Inhalation:
Inhalation of dust may cause respiratory tract irritation.
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.
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:

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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# 3473-11-8: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 136 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: CH3NO.HCl
Molecular Weight: 81.50

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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:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3473-11-8: TQ0300000 LD50/LC50:
CAS# 3473-11-8: Dermal, guinea pig: LD50 = 100 mg/kg; Oral, rat: LD50 = 30 mg/kg.
Not available.
Carcinogenicity:
Formaldehyde oxime hydrochloride - 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
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# 3473-11-8: No information available.
Canada
CAS# 3473-11-8 is listed on Canada's NDSL List.
CAS# 3473-11-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3473-11-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

比色测定锰、铜、镍和钴。

用途简介 用途

比色测定锰、铜、镍和钴。

反应信息

• 作为反应物：
  描述：

  甲醛肟盐酸盐 、 alkaline earth salt of/the/ methylsulfuric acid 生成 甲醛肟
  参考文献：
  名称：

  Dunstan; Bossi, Journal of the Chemical Society, 1898, vol. 73, p. 360

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醛肟 在 盐酸 作用下， 生成 甲醛肟盐酸盐
  参考文献：
  名称：

  甲甲醛肟与氨和氯化氢的氢键复合物。

  摘要：

  红外光谱法和MP2 / 6-311 ++ G（2d，2p）研究了福尔多肟与固体氩气基质中捕获的氨和氯化氢的氢键复合物。在CH2NOH / NH3 / Ar，CH2NOH / HCl / Ar基质中分别确定了福尔多肟与氨，氯化氢的1：1和1：2络合物，通过比较光谱和计算结果确定了它们的结构。在存在于氩气基质中的1：1配合物中，福尔多肟的OH基团充当氨的质子供体，而氮原子充当氯化氢的质子受体。在1：2的配合物中，氨或氯化氢二聚体与OH基团和CH2NOH的氮原子相互作用，形成由三个氢键稳定的七元环状结构。

  DOI：

  10.1016/j.saa.2013.11.017

文献信息

• A Simple, Safe and Efficient Synthesis of Tyrian Purple (6,6′-Dibromoindigo)
  作者：Joel L. Wolk、Aryeh A. Frimer

  DOI：10.3390/molecules15085561

  日期：——

  6,6’-Dibromoindigo is a major component of the historic pigment Tyrian purple, arguably the most famous dye of antiquity. Over the last century, chemists have been interested in developing practical syntheses of the compound We describe herein a new, reasonably simple and efficient synthesis of Tyrian purple which opens the way to the production of large quantities of the dye with minimal hazards and at low cost.

  6,6'-二溴靛蓝是古色泰尔紫的主要成分，可以说是古代最著名的染料。近一个世纪以来，化学家们一直对开发该化合物的实用合成方法感兴趣。本文描述了一种新的、相对简单而高效的泰尔紫合成方法，为以最小的危害和低成本大量生产这种染料打开了通路。
• Reaction of ketoximes with aliphatic aldehydes and diphenylborinic acid. Crystal and molecular structure of a diphenylboron chelate derived from the pivaldehyde adduct to cyclohexanone oxime
  作者：Wolfgang Kliegel、Ulf Riebe、Steven J Rettig、James Trotter

  DOI：10.1139/v98-206

  日期：1998.12.1

  reacted with aliphatic aldehydes in the presence of oxybis(diphenylborane) in order to assess the influence of increasingly bulky residues on the nature of the products. Crystals of 5-tert-butyl-2-cyclohexylidene-3,3-diphenyl-1,4-dioxa-2-azonia-3-boratacyclopentane, 4c, are monoclinic, a = 14.0647(9), b = 11.416(1), c = 14.756(1) A, β = 115.696(4)°, Z = 4, space group P21/c. The structure was solved by direct

  各种酮肟在氧双（二苯基硼烷）存在下与脂肪醛反应，以评估越来越大的残留物对产品性质的影响。5-叔丁基-2-亚环己基-3,3-二苯基-1,4-dioxa-2-azonia-3-boratacyclopentane, 4c, 是单斜晶系, a = 14.0647(9), b = 11.416(1) , c = 14.756(1) A, β = 115.696(4)°, Z = 4, 空间群 P21/c。该结构通过直接方法求解，并通过全矩阵最小二乘法精炼至 R = 0.038 (Rw = 0.038)，对于 I >= 3σ(I) 的 2511 次反射。醛上的大取代基有利于肟氧原子上的 α-羟烷基化，随后形成 BOCON 二苯硼螯合物，而甲醛通过肟的 N-烷基化反应，产生 COBON 二苯硼螯合物。
• Pesticidal cyclopropyl-2,4-dieneamides
  申请人：The Wellcome Foundation Limited

  公开号：US05202356A1

  公开（公告）日：1993-04-13

  The present Application discloses pesticidally active compounds of the formula (I): Q Q.sup.1 CR.sup.2 =CR.sup.3 CR.sup.4 =CR.sup.5 C (.dbd.X) NHR.sup.1 or a salt thereof, wherein Q is an monocyclic aromatic ring. or fused bicyclic ring system of which at least one ring is aromatic containing 9 or 10 atoms of which one may be nitrogen and the rest carbon each optionally substituted, or Q is a dihalovinyl group or a group R.sup.6 --C.tbd.C-- where R.sup.6 is C.sub.1-4 alkyl, tri C.sub.1-4 alkylsilyl, halogen or hydrogen; Q.sup.1 is a 1,2-cyclopropyl ring optionally substituted by one or more groups selected from C.sub.1-3 alkyl. halo, C.sub.1-3 haloalkyl, alkynyl, or cyano; R.sup.2,R.sup.3, R.sup.4 and R.sup.5 are the same or different with at least one being hydrogen and the others being independently selected from hydrogen, halo. C.sub.1-4 alkyl or C.sub.1-4 haloalkyl; X is oxygen or sulphur; and R.sup.1 is selected from hydrogen and C.sub.1-8 hydrocarbyl optionally substituted by dioxalanyl, halo, cyano, trifluoromethyl, trifluoromethylthio or C.sub.1-6 alkoxy. their preparation, pesticidal compositions containing them and their use against pests.

  本申请公开了式(I)的杀虫活性化合物或其盐：Q Q.sup.1 CR.sup.2 =CR.sup.3 CR.sup.4 =CR.sup.5 C (.dbd.X) NHR.sup.1，其中Q是一个单环芳香环或融合的二环芳香环系统，至少一个环是含9或10个原子的芳香环，其中一个可能是氮，其余的是可选择的碳，每个原子可以被取代，或者Q是二卤乙烯基或R.sup.6--C.tbd.C--基团，其中R.sup.6是C.sub.1-4烷基，三C.sub.1-4烷基硅基，卤素或氢；Q.sup.1是1,2-环丙基环，可选取自C.sub.1-3烷基，卤素，C.sub.1-3卤代烷基，炔基或氰基的一个或多个基团取代；R.sup.2，R.sup.3，R.sup.4和R.sup.5相同或不同，至少一个是氢，其他的是独立选择的氢、卤素、C.sub.1-4烷基或C.sub.1-4卤代烷基；X是氧或硫；R.sup.1选自氢和C.sub.1-8羟基烷基，可选择地被二氧杂环戊二烯基、卤素、氰基、三氟甲基、三氟甲硫基或C.sub.1-6烷氧基取代。该化合物的制备、含有它们的杀虫剂组合物以及它们对害虫的使用也被公开。
• Design, synthesis, and biological evaluation of 1,2,4-triazole derivatives as potent antitubercular agents
  作者：Yu Wen、Shichun Lun、Yuxue Jiao、Wei Zhang、Tianyu Hu、Ting Liu、Fan Yang、Jie Tang、Bing Zhang、William R. Bishai、Li-Fang Yu

  DOI：10.1016/j.cclet.2023.108464

  日期：2024.3

  for developing antitubercular drugs. Based on the X-ray crystal structure of MmpL3 inhibitor complexes, a series of novel 1,2,4-triazole derivatives were designed, synthesized and evaluated antitubercular activity against Mtb strain H37Rv. Comprehensive structure–activity relationship exploration resulted in the identification of compounds 21 and 28, which possess potent antitubercular activity against

  抑制分枝杆菌膜蛋白大3（MmpL3）从而影响分枝菌酸生物合成途径已被证明是开发抗结核药物的有效策略。基于MmpL3抑制剂复合物的X射线晶体结构，设计、合成了一系列新型1,2,4-三唑衍生物，并评估了其对Mtb菌株H37Rv的抗结核活性。全面的构效关系探索鉴定出化合物21和28，它们对Mtb菌株 H37Rv [最低抑菌浓度 (MIC) = 0.03–0.13 μg/mL] 和多重耐药 (MDR) 临床分离株具有有效的抗结核活性和广泛耐药 (XDR) 结核病 (MIC = 0.06–1.0 μg/mL)。此外，根据计算机吸收、分布、代谢和排泄 (ADME) 预测，化合物21和28对哺乳动物 Vero 细胞显示出可忽略的细胞毒性 (IC 50 ≥ 32 μg/mL) 和良好的理化和药代动力学特性。最后，使用微量热泳 (MST) 测定将代表性 1,2,4-三唑28的潜在靶标确定为 MmpL3。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.24, page 1127 - 1133
  作者：

  DOI：——

  日期：——