96-86-6

• 常用中文名：Benzamidomalonic acid, diethyl ester
• 常用英文名：Benzamidomalonic acid, diethyl ester
• CAS号：96-86-6
• 分子式：C₁₄H₁₇NO₅
• 分子量：279.28800
• 发布时间：2017-03-08 06:29:06
• 更新时间：2024-01-15 09:00:34

名称

• 英文名: Benzamidomalonic acid, diethyl ester
• 英文别名: benzoylamino-malonic acid diethyl ester; 2-(anthracen-9-ylmethyl)malonic acid diethyl ester; Propanedioic acid,(9-anthracenylmethyl)-,diethyl ester; diethyl 2-(benzoylamino)malonate; 2-(benzoylamino)propanedioic acid diethyl ester; diethyl N-benzoyl-aminomalonate; diethyl 2-benzamidomalonate; diethyl 2-(anthracen-9-ylmethyl)malonate; diethyl 9-anthrylmethylmalonate

物化性质

• 密度: 1.182g/cm3
• 沸点: 452.9ºC at 760mmHg
• 分子式: C₁₄H₁₇NO₅
• 分子量: 279.28800
• 闪点: 227.7ºC
• 精确质量: 279.11100
• PSA: 81.70000
• LogP: 1.30210
• 蒸汽压: 3.82E-08mmHg at 25°C
• 折射率: 1.54

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: Diethyl benzamidomalonate REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 96-86-6 SECTION 2: Hazards identification Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008. This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards This substance/mixture contains no components considered to be either persistent, bioaccumulative and toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher. SECTION 3: Composition/information on ingredients Substances Formula: C14H17NO5 Molecular weight: 279,29 g/mol CAS-No.: 96-86-6 EC-No.: 202-540-4 No components need to be disclosed according to the applicable regulations. SECTION 4: First aid measures Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed No data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, Nitrogen oxides (NOx) Advice for firefighters Wear self-contained breathing apparatus for firefighting if necessary. Further information No data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Avoid dust formation. Avoid breathing vapours, mist or gas. For personal protection see section 8. Environmental precautions No special environmental precautions required. Methods and materials for containment and cleaning up Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place., The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure No special environmental precautions required. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid b) OdourNo data available c) Odour ThresholdNo data available d) pHNo data available e) Melting point/freezingNo data available point f) Initial boiling point and No data available boiling range g) Flash pointNo data available h) Evaporation rateNo data available i) Flammability (solid, gas) No data available j) Upper/lowerNo data available flammability or explosive limits k) Vapour pressureNo data available l) Vapour densityNo data available m) Relative densityNo data available n) Water solubilityNo data available o) Partition coefficient: n- log Pow: 1,366 octanol/water p) Auto-ignitionNo data available temperature q) DecompositionNo data available temperature r) ViscosityNo data available s) Explosive propertiesNo data available t) Oxidizing propertiesNo data available Other safety information No data available SECTION 10: Stability and reactivity Reactivity No data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions No data available Conditions to avoid No data available Incompatible materials Strong oxidizing agents Hazardous decomposition products In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity No data available Skin corrosion/irritation No data available Serious eye damage/eye irritation No data available Respiratory or skin sensitisation No data available Germ cell mutagenicity No data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity No data available Specific target organ toxicity - single exposure No data available Specific target organ toxicity - repeated exposure No data available Aspiration hazard No data available Additional Information RTECS: Not available SECTION 12: Ecological information Toxicity No data available Persistence and degradability No data available Bioaccumulative potential No data available Mobility in soil No data available Results of PBT and vPvB assessment This substance/mixture contains no components considered to be either persistent, bioaccumulative and toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher. Other adverse effects No data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user No data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture No data available Chemical Safety Assessment SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S22-S24/25
• 海关编码: 2924299090

合成路线

6829-40-9 98-88-4 ~94% 96-86-6

文献：Nolt, M. Brad; Smiley, Mark A.; Varga, Sandor L.; McClain, Ray T.; Wolkenberg, Scott E.; Lindsley, Craig W. Tetrahedron, 2006 , vol. 62, # 19 p. 4698 - 4704

6829-41-0 ~% 96-86-6

文献：Redemann; Dunn Journal of Biological Chemistry, 1939 , vol. 130, p. 347

996-82-7 ~% 96-86-6

文献：Redemann; Dunn Journal of Biological Chemistry, 1939 , vol. 130, p. 347

13433-00-6 98-88-4 ~% 96-86-6

文献：DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1621537 A1, 2006 ; Location in patent: Page/Page column 40-41 ;

6829-40-9 65-85-0 ~% 96-86-6

文献：Wang, Peiyuan; Naduthambi, Devan; Mosley, Ralph T.; Niu, Congrong; Furman, Phillip A.; Otto, Michael J.; Sofia, Michael J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 15 p. 4642 - 4647

98-88-4 ~% 96-86-6

文献：Locquin; Cerchez Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1928 , vol. 186, p. 1361,1362 Bulletin de la Societe Chimique de France, 1928 , vol. <4> 43, p. 933

上下游产品

上游产品  6
6829-40-9 98-88-4 13433-00-6 6829-41-0
996-82-7 65-85-0
下游产品  7
32418-03-4 150-30-1 81917-90-0 81917-93-3
81917-96-6 84337-81-5 54644-12-1

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%