2,3,5,6-四氯异烟腈 | 16297-06-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2,3,5,6-四氯异烟腈
• 英文名称: 2,3,5,6-tetrachloroisonicotinonitrile
• 英文别名: tetrachloro-4-cyanopyridine；4-cyanotetrachloropyridine；tetrachloro-isonicotinonitrile；Tetrachlor-isonicotinonitril；4-cyano-2,3,5,6-tetrachloro-pyridine；2,3,5,6-Tetrachlor-4-cyan-pyridin；2,3,5,6-tetrachloropyridine-4-carbonitrile
• CAS: 16297-06-6
• 化学式: C₆Cl₄N₂
• mdl: MFCD01570864
• 分子量: 241.891
• InChiKey: WQGYOIRZZWUJJU-UHFFFAOYSA-N

物化性质

• 熔点：
  139-141
• 沸点：
  298.3±35.0 °C(Predicted)
• 密度：
  1.75±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R20/21/22,R36/37/38
• 安全说明：
  S26,S36/37/39

SDS

Name:	2 3 5 6-Tetrachloroisonicotinonitrile 97% Material Safety Data Sheet
Synonym:	2,3,5,6-Tetrachloropyridine-4-carbonitril
CAS:	16297-06-6

Section 1 - Chemical Product MSDS Name:2 3 5 6-Tetrachloroisonicotinonitrile 97% Material Safety Data Sheet
Synonym:2,3,5,6-Tetrachloropyridine-4-carbonitril

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16297-06-6	2,3,5,6-Tetrachloroisonicotinonitrile	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes 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:
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16297-06-6: 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: 139 - 142 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: C6Cl4N2
Molecular Weight: 242

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16297-06-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3,5,6-Tetrachloroisonicotinonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 16297-06-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16297-06-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16297-06-6 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：

  2,3,5,6-四氯异烟腈 在 potassium fluoride 、 甲酸 、 盐酸羟胺 、 水 作用下， 以 乙醇 、 水 为溶剂， 反应 20.0h， 生成 tetrafluoropyridine-4-aldoxime
  参考文献：
  名称：

  Synthesis of some fluorine-containing pyridinealdoximes of potential use for the treatment of organophosphorus nerve-agent poisoning

  摘要：

  Fluoroheterocyclic aldoximes were screened as therapeutic agents for the treatment of anticholinesterase poisoning. 2-Fluoropyridine-3- and -6-aldoxime, and 3-fluoropyridine-2- and -4-aldoxime, were synthesised. Attempts to obtain 3,5,6-trifluoropyridine-2,4-bis(aldoxime) and -2-aldoxime, however, proved unsuccessful. Pentafluorobenzaldoxime was prepared by oximation of pentafluorobenzaldehyde. Acid dissociation constants (pK(a)) and second-order rate constants (k(ox)-) of the fluorinated pyridinealdoximes towards satin were measured. 2,3,5,6-Tetrafluoropyridine-4-aldoxime had the best profile: its k(ox)- approached that of the therapeutic oxime P2S (310 vs. 120 l mol(-1) min(-1)), but its higher pK(a) (9.1 vs. 7.8) fell short of the target figure of 8 required for reactivation of inhibited acetylcholinesterase in vivo. N-alkylation of the fluorinated pyridine-aldoximes may reduce their pK(a) nearer to 8 and enhance their therapeutic potential. Crown Copyright (c) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.05.028
• 作为产物：
  描述：

  tetrachloro-isonicotinic acid amide 在 phosphorus pentoxide 作用下， 生成 2,3,5,6-四氯异烟腈
  参考文献：
  名称：

  Graf, Journal fur praktische Chemie (Leipzig 1954), 1936, vol. <2> 146, p. 88,102

  摘要：

  DOI：

文献信息

• 3-tert-butyl-4-hydroxyphenylpropionic acid amino-alkylamide derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US04785107A1

  公开（公告）日：1988-11-15

  The novel phenol derivatives of the general formula (I) ##STR1## where R is hydrogen, straight-chain or branched C.sub.1 -C.sub.8 -alkyl or cycloalkyl, A is a bridge member and B is a radical of the formula ##STR2## where R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and T.sup.1 independently of one another are each hydrogen, C.sub.1 -C.sub.8 -alkyl, halogen, CN, COOT.sup.2 or CONHT.sup.2, with the proviso that one or more of the radicals R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and T.sup.1 are halogen, CN, COOT.sup.2 and CONHT.sup.2 and T.sup.2 is C.sub.1 -C.sub.8 -alkyl, are useful for stabilizing organic material, in particular polyolefins, to degradation by oxidation.

  通式（I）的新颖苯酚衍生物 ##STR1## 其中R为氢、直链或支链C.sub.1-C.sub.8-烷基或环烷基，A为桥接成员，B为公式的基团 ##STR2## 其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和T.sup.1互不相同地分别为氢、C.sub.1-C.sub.8-烷基、卤素、CN、COOT.sup.2或CONHT.sup.2，但须满足R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和T.sup.1中的一个或多个为卤素、CN、COOT.sup.2和CONHT.sup.2，T.sup.2为C.sub.1-C.sub.8-烷基，用于稳定有机材料，特别是聚烯烃，以防止氧化降解。
• Method for production of organic fluorine compound
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0899256A2

  公开（公告）日：1999-03-03

  A method for the production of an aromatic fluorine compound is provided which is capable of preventing the occurrence of benzoic acid fluorides during the course of a halogenation exchange reaction or allowing removal of the benzoic acid fluorides formed at all. A method for the production of an organic fluorine compound is disclosed which comprises preventing the occurrence of acid fluorides of an aromatic compound during the production of the organic fluorine compound by the reaction of an organic chlorine or bromine compound with a fluorinating agent in benzonitrile as a solvent or allowing removal of the acid fluorides formed.

  本发明提供了一种生产芳香族含氟化合物的方法，该方法能够防止在卤化交换反应过程中出现苯甲酸氟化物，或能够从根本上去除所形成的苯甲酸氟化物。本发明公开了一种生产有机氟化合物的方法，该方法包括在生产有机氟化合物的过程中，通过有机氯或溴化合物与氟化剂在苯甲腈作为溶剂中的反应，防止出现芳香族化合物的酸性氟化物，或允许去除形成的酸性氟化物。
• Reactions of polyhalogenopyridines. 15. Reaction of isomeric tetrachlorocyanopyridines and pentachloropyridine with potassium isopropyltrithiocarbonate
  作者：A. M. Sipyagin、V. V. Kolchanov、Z. G. Aliev、N. K. Karakhanova、A. T. Lebedev

  DOI：10.1007/bf02290720

  日期：1998.3
• Reactions of polyhalogenopyridines. 14. Reaction of isomeric dichlorocyanopyridines and pentachloropyridine with potassium ethylxanthate
  作者：A. M. Sipyagin、V. V. Kolchanov、A. T. Lebedev、N. K. Karakhanova

  DOI：10.1007/bf02320333

  日期：1997.11
• Reactions of polyhalopyridines. 1. Reaction of the isomeric tetrachlorocyanopyridines and pentachloropyridine with salts of N,N-dialkyldithiocarbamic acid and the X-ray structural investigation of the reaction products
  作者：A. M. Sipyagin、Z. G. Aliev

  DOI：10.1007/bf00534387

  日期：1993.9