乙氧基羰酰异氰酸酯 | 19617-43-7

• 物质功能分类: 化学试剂 - 有机试剂 - 氰酸酯/异氰酸酯
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 乙氧基羰酰异氰酸酯
• 中文别名: 异氰酸基甲酸乙酯
• 英文名称: ethoxycarbonylisocyanate
• 英文别名: ethyl isocyanatoformate；N-ethoxycarbonyl isocyanate；N-(oxo-methylene)-carbamic acid ethyl ester；Ethoxycarbonyl isocyanate；ethyl N-(oxomethylidene)carbamate
• CAS: 19617-43-7
• 化学式: C₄H₅NO₃
• mdl: MFCD00011719
• 分子量: 115.089
• InChiKey: VMVZGGPZNHFGKS-UHFFFAOYSA-N

物化性质

• 沸点：
  25 °C/10 mmHg (lit.)
• 密度：
  1.115 g/mL at 25 °C (lit.)
• 闪点：
  96 °F

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  Xn
• 安全说明：
  S7
• 危险类别码：
  R10
• WGK Germany：
  3
• 海关编码：
  2929109000
• 包装等级：
  II
• 危险类别：
  6.1(a)
• 危险品运输编号：
  UN 3080 6.1/PG 2
• 储存条件：
  flammable areas

SDS

Name:	Ethoxycarbonyl Isocyanate Tech. 90% Material Safety Data Sheet
Synonym:	None
CAS:	19617-43-7

Section 1 - Chemical Product MSDS Name:Ethoxycarbonyl Isocyanate Tech. 90% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
19617-43-7	Ethoxycarbonyl Isocyanate	90%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: 10

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable.Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Contains cyanide. May cause dizziness, tremors, restlessness, rapid heart beat, increased blood pressure, hallucinations, kidney failure, and pulmonary edema.
Inhalation:
May cause respiratory tract irritation. Vapors may cause dizziness or suffocation. Inhalation of high concentrations may cause pulmonary edema. May cause cardiac abnormalities. Contains cyanide.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
Exposure should be treated as a cyanide poisoning.
Antidote: Always have a cyanide antidote kit on hand when working with cyanide compounds. Get medical advice to use.

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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. Vapors may form an explosive mixture with air.
During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire.
Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19617-43-7: 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: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 25 deg C @ 10.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 35 deg C ( 95.00 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1150g/cm3
Molecular Formula: C2H5O2NCO
Molecular Weight: 115.09

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 19617-43-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethoxycarbonyl Isocyanate - 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: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.*
Hazard Class: 6.1 (3)
UN Number: 3080
Packing Group: II
IMO
Shipping Name: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.
Hazard Class: 6.1 (3)
UN Number: 3080
Packing Group: II
RID/ADR
Shipping Name: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S.
Hazard Class: 6.1 (3)
UN Number: 3080
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 19617-43-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19617-43-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19617-43-7 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：

  乙氧基羰酰异氰酸酯 在 盐酸肼 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以95%的产率得到ethyl N-[(ethoxycarbonylcarbamoylamino)carbamoyl]carbamate
  参考文献：
  名称：

  An Easy Access to Hydrazinocarbonyl Carbamic Acid Ethyl Esters

  摘要：

  DOI：

  10.1007/pl00010213
• 作为产物：
  描述：

  bis-ethoxycarbonyl-cyano-amine 在 phosphorus pentoxide 作用下， 生成 乙氧基羰酰异氰酸酯
  参考文献：
  名称：

  Diels; Gollmann, Chemische Berichte, 1911, vol. 44, p. 3164

  摘要：

  DOI：

文献信息

• Antibacterial 3-(5-tetrazolyl)penam compounds
  申请人：Pfizer Inc.

  公开号：US04143039A1

  公开（公告）日：1979-03-06

  Certain novel 6-acylamino-2,2-dimethyl-3-(5-tetrazolyl)penam derivatives, and salts thereof; their use as broad-spectrum antibacterial agents; and methods for their preparation. Their preparation comprises acylation of the novel intermediate, 6-amino-2,2-dimethyl-3-(5-tetrazolyl)penam or simple derivatives thereof, followed, in some cases, by further transformations of the 6-acylamino group or by removal of a protecting group from the 5-tetrazolyl moiety. Process for the preparation of 6-amino-2,2-dimethyl-3-(5-tetrazolyl)penam, simple derivatives thereof and intermediates therefor.

  某些新型6-酰氨基-2,2-二甲基-3-(5-四唑基)佩纳姆衍生物及其盐；它们作为广谱抗菌剂的用途；以及它们的制备方法。它们的制备包括对新型中间体6-氨基-2,2-二甲基-3-(5-四唑基)佩纳姆或其简单衍生物进行酰化，然后，在某些情况下，通过进一步转化6-酰氨基基团或去除5-四唑基团的保护基来进行。制备6-氨基-2,2-二甲基-3-(5-四唑基)佩纳姆、其简单衍生物及其中间体的方法。
• Certain 2-carbamoyl-1,2,4-thiadiazole-3-one herbicides
  申请人：Roussel Uclaf

  公开号：US04067720A1

  公开（公告）日：1978-01-10

  Novel thiadiazoles of the formula ##STR1## wherein R is selected from the group consisting of alkoxy of 1 to 8 carbon atoms, cycloalkyloxy of 3 to 7 carbon atoms, alkylthio of 1 to 8 carbon atoms optionally substituted with carbalkoxy of 2 to 5 carbon atoms, alkenylthio of 2 to 4 carbon atoms, ##STR2## and benzyloxy, benzylthio, benzyl and phenyl, all aryl being optionally substituted with 1 to 2 members of the group consisting of chlorine, bromine, alkyl of 1 to 3 carbon atoms and alkoxy of 1 to 3 carbon atoms, Z and Z.sub.1 are alkyl of 1 to 4 carbon atoms and R.sub.1 is selected from the group consisting of alkyl of 1 to 6 carbon atoms optionally substituted with a member of the group consisting of chlorine, bromine and alkyloxy of 1 to 4 carbon atoms, phenyl optionally substituted with 1 to 2 members of the group consisting of bromine, chlorine, alkyl of 1 to 3 carbon atoms and alkoxy of 1 to 3 carbon atoms, alkenyl of 2 to 4 carbon atoms optionally substituted with at least one member of the group consisting of chlorine and alkoxy of 1 to 3 carbon atoms, ##STR3## and carbalkoxy of 2 to 6 carbon atoms and X is selected from the group consisting of alkyl of 1 to 4 carbon atoms and alkenyl of 2 to 4 carbon atoms, both optionally substituted with at least one chlorine having herbicidal properties and novel intermediates.

  新型噻二唑类化合物的结构式为##STR1##其中R从以下组中选择：1至8个碳原子的烷氧基，3至7个碳原子的环烷氧基，1至8个碳原子的烷基硫醚，可选择地取代有2至5个碳原子的羰基烷氧基，2至4个碳原子的烯基硫醚，##STR2##苯氧基，苄硫醚，苄基和苯基，所有芳基可选择地取代有1至2个氯、溴、1至3个碳原子的烷基和1至3个碳原子的烷氧基中的成员，Z和Z.sub.1为1至4个碳原子的烷基，R.sub.1从以下组中选择：1至6个碳原子的烷基，可选择地取代有氯、溴和1至4个碳原子的烷氧基中的成员，苯基，可选择地取代有溴、氯、1至3个碳原子的烷基和1至3个碳原子的烷氧基中的1至2个成员，2至4个碳原子的烯基，可选择地取代有至少一个氯和1至3个碳原子的烷氧基中的成员，##STR3##和2至6个碳原子的羰基烷氧基，X从以下组中选择：1至4个碳原子的烷基和2至4个碳原子的烯基，两者可选择地取代有至少一个具有除草性能的氯的新型中间体。
• [EN] TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS<br/>[FR] INHIBITEURS TRICYCLIQUES DE GYRASE UTILISABLES COMME AGENTS ANTIBACTÉRIENS
  申请人：TRIUS THERAPEUTICS INC

  公开号：WO2014043272A1

  公开（公告）日：2014-03-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. In addition, species of tricyclic gyrase inhibitors compounds are also disclosed herein. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有化学式I结构的化合物及其药用盐、酯和前药，这些化合物可用作抗菌有效的三环酶抑制剂。此外，本文还披露了三环酶抑制剂化合物的种属。还考虑了相关的药用组合物、用途和制备这些化合物的方法。
• 银杏内酯B衍生物及其在药物中的应用
  申请人：广东东阳光药业有限公司

  公开号：CN104098584B

  公开（公告）日：2017-01-18

  本发明涉及由结构式（I）或（II）所示的银杏内酯B的衍生物及其水合物、溶剂化物或药学上可接受的盐，和含有这些化合物及其组合作为活性成分的药物组合物，以及所述的化合物或药物组合物来制备用于防护、处理、治疗或减轻患者心脑血管疾病的药物的用途。。
• Synthesis and transformations of pyrrolo[1,2-a][1,3,5]-triazines
  作者：Jonas Verhoeven、B. Narendraprasad Reddy、Lieven Meerpoel、Jan Willem Thuring、Guido Verniest

  DOI：10.1016/j.tetlet.2018.11.002

  日期：2018.12

  Pyrrolotriazines and related fused azaheterocycles have high potential for the synthesis of bioactive compounds, especially as a purine base isoster in carbon linked nucleosides. Although many structurally related compounds have already been synthesized and used in medicinal chemistry, pyrrolo[1,3,5]triazines have barely been described. The present work describes the synthesis of such heterocycles

  吡咯并三嗪和相关的稠合氮杂杂环化合物具有很高的合成生物活性化合物的潜力，尤其是作为碳连接核苷中的嘌呤碱基等排物。尽管已经合成了许多结构相关的化合物并用于药物化学，但​​几乎没有描述吡咯并[1,3,5]三嗪。本工作描述了通过2-氨基-3-乙氧基羰基吡咯与乙氧基羰基异（硫代）氰酸酯的缩合来合成这些杂环。在对所获得的稠合吡咯的简要反应性研究中，证明了O-和S-烷基化，酯水解以及6位区域选择性溴化。

表征谱图