6-硝基-4H-1,3-苯并二氧杂环己烷 | 6963-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 6-硝基-4H-1,3-苯并二氧杂环己烷
• 英文名称: nitro-6 benzo (4H) dioxinne-1,3
• 英文别名: 6-nitro-1,3-benzodioxane；6-Nitro-1,3-benzodioxin；6-nitro-1,3-benzdioxin；6-nitro-4H-benzo[1,3]dioxine；6-Nitro-4H-benzo[1,3]dioxin；6-nitro-1,3-benzodioxan；6-nitro-4H-1,3-benzodioxine
• CAS: 6963-03-7
• 化学式: C₈H₇NO₄
• mdl: MFCD00086349
• 分子量: 181.148
• InChiKey: RCVQOAMNZPWAIM-UHFFFAOYSA-N

物化性质

• 熔点：
  149 °C(Solv: ethanol (64-17-5))
• 沸点：
  339.9±42.0 °C(Predicted)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

SDS

Version 1.2
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name 6-NITRO-1,3-BENZODIOXAN

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2 - Hazards Identification

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
6-NITRO-1,3-BENZODIOXAN 6963-03-7 None None
Formula C8H7NO4
Molecular Weight 181,1500 AMU

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4 - First Aid Measures

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5 - Fire Fighting Measures

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6 - Accidental Release Measures

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7 - Handling and Storage

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8 - Exposure Controls / Personal Protection

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9 - Physical and Chemical Properties

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pH N/A
BP/BP Range N/A
MP/MP Range 147,000. - 149,000 °
C.
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
ALDRICH www.molbase.com
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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11 - Toxicological Information

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
ALDRICH www.molbase.com
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-硝基-4H-1,3-苯并二氧杂环己烷 在 乙醇 、 zinc(II) chloride 作用下， 生成 diethyl-(6-nitro-4H-benzo[1,3]dioxin-8-ylmethyl)-amine
  参考文献：
  名称：

  Strawrowskaja; Toptschiew, Zhurnal Obshchei Khimii, 1951, vol. 21, p. 525,530

  摘要：

  DOI：
• 作为产物：
  描述：

  2-aminomethyl-4-nitrophenol 在 盐酸 、 硫酸 、 水 、 sodium nitrite 作用下， 生成 6-硝基-4H-1,3-苯并二氧杂环己烷
  参考文献：
  名称：

  Calvet; Mejuto, Anales de la Real Sociedad Espanola de Fisica y Quimica, 1932, vol. 30, p. 767,775

  摘要：

  DOI：

文献信息

• Imidazole derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04435406A1

  公开（公告）日：1984-03-06

  Tricyclic imidazole derivatives of the formula ##STR1## wherein R.sup.1 is 2-pyridyl optionally substituted by lower alkyl or lower alkoxy, n is the integer 0 or 1, R.sup.2 is hydrogen or lower alkyl, R.sup.3 and R.sup.4, independently, are hydrogen or lower alkyl, A is a group of the formula ##STR2## m is the integer 2 or 3, R.sup.5, R.sup.6, R.sup.7 and R.sup.8, independently, are hydrogen or lower alkyl, and R.sup.9 is hydrogen and R.sup.10 is hydrogen or lower alkyl or R.sup.9 and R.sup.10 taken together are oxo, provided that at least one of R.sup.3 and R.sup.4 is lower alkyl when A is a group of the formula --CH.dbd.CH--CH.dbd.CH-- or --(CH.sub.2).sub.4 --, and their pharmaceutically acceptable acid addition salts. The compounds of formula I inhibit gastric acid secretion and prevent the formation of gastric ulcers.

  Tricyclic imidazole derivatives of the formula ##STR1## wherein R.sup.1 is 2-pyridyl optionally substituted by lower alkyl or lower alkoxy, n is the integer 0 or 1, R.sup.2 is hydrogen or lower alkyl, R.sup.3 and R.sup.4, independently, are hydrogen or lower alkyl, A is a group of the formula ##STR2## m is the integer 2 or 3, R.sup.5, R.sup.6, R.sup.7 and R.sup.8, independently, are hydrogen or lower alkyl, and R.sup.9 is hydrogen and R.sup.10 is hydrogen or lower alkyl or R.sup.9 and R.sup.10 taken together are oxo, provided that at least one of R.sup.3 and R.sup.4 is lower alkyl when A is a group of the formula --CH.dbd.CH--CH.dbd.CH-- or --(CH.sub.2).sub.4 --, and their pharmaceutically acceptable acid addition salts. The compounds of formula I inhibit gastric acid secretion and prevent the formation of gastric ulcers.
• Methods of Synthesizing 2-Substituted-1,4-Benzenediamine
  申请人：GARDLIK John Michael

  公开号：US20120078016A1

  公开（公告）日：2012-03-29

  Disclosed is a method of making a 2-substituted-1,4-benzenediamine by nucleophilic aromatic substitution.

  本方法揭示了通过亲核芳香取代制备2-取代-1,4-苯二胺的方法。
• [EN] METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE<br/>[FR] PROCÉDÉS DE SYNTHÈSE DE 2-MÉTHOXYMÉTHYL-1,4-BENZÈNEDIAMINE
  申请人：PROCTER & GAMBLE

  公开号：WO2012044758A1

  公开（公告）日：2012-04-05

  Disclosed is a method of making 2-methoxymethyl-1,4-benzenediamine that includes hydrogenating 1-benzylamino-2-(methoxymethyl)-4-nitrobenzene in the presence of a hydrogenation catalyst.

  揭示了一种制备2-甲氧甲基-1,4-苯二胺的方法，其中包括在氢化催化剂存在下氢化1-苄基氨基-2-(甲氧甲基)-4-硝基苯。
• Oxidative hair dyeing compositions based on 4-aminophenol derivatives
  申请人：Wella Aktiengesellschaft

  公开号：US04997451A1

  公开（公告）日：1991-03-05

  Compositions for oxidative dyeing of hair based on 4-aminophenol derivatives of the formula (I): ##STR1## or their physiologically compatible water soluble salts, wherein R is selected from the group consisting of alkyl groups with from one to four carbon atoms, monohydroxyalkyl groups with from two to four carbon atoms, aminoalkyl groups with from two to four carbon atoms, aminoalkyl groups having amino groups substituted with from one to two alkyl groups having from one to four carbon atoms and dihydroxyalkyl groups with from three to four carbon atoms. New developer substances include 4-amino-2-propoxymethyl phenol, 4-amino-2-isopropoxymethyl phenol and 4-amino-2-(2'-hydroxyethoxymethyl)-phenol. The developer substances of the formula I have physiologically improved properties with equally good dyeing properties as the p-aminophenol used up to now in the red region of the spectrum.

  基于4-氨基苯酚衍生物（I）的氧化染发组合物：##STR1##或其生理相容的水溶性盐，其中R选自以下组：碳原子数为1到4的烷基，碳原子数为2到4的单羟基烷基，碳原子数为2到4的氨基烷基，具有氨基基团的氨基烷基，其氨基基团被从1到2个碳原子数为1到4的烷基取代，以及碳原子数为3到4的二羟基烷基。新的显色剂物质包括4-氨基-2-丙氧甲基苯酚，4-氨基-2-异丙氧甲基苯酚和4-氨基-2-(2'-羟乙氧甲基)-苯酚。式I的显色剂物质具有生理学改善性能，与迄今在光谱红区使用的对氨基苯酚一样具有良好的染色性能。
• METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE
  申请人：The Proctor & Gamble Company

  公开号：US20140081049A1

  公开（公告）日：2014-03-20

  Disclosed is a method of making a 2-substituted-1,4-benzenediamine by nucleophilic aromatic substitution.

  本发明揭示了一种通过亲核芳香取代制备2-取代-1,4-苯二胺的方法。