3D Mol Similar

コハク酸無水物

: IUPAC名称：oxolane-2,5-dione; CAS登録番号: 108-30-5; 分子量：100.07

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1. 名前と識別子

: 1.1 商品名; コハク酸無水物; 1.2 同義語; ジヒドロ-2,5-フランジオン, Succinic anhydrideコハク酸無水物

1.3 CAS登録番号: 108-30-5

1.4 CID: 7922

1.5 EINECS番号: 203-570-0

1.6 分子式: コハク酸無水物 (isomer)

1.7 Inchi: InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2

1.8 InchiKey: RINCXYDBBGOEEQ-UHFFFAOYSA-N

1.9 標準的な SMILES: C1CC(=O)OC1=O

1.10 異性体 SMILES: C1CC(=O)OC1=O

2. 性質

2.1 密度: 1.375

2.2 融点: 118℃

2.3 沸騰点: 261℃

2.4 屈折率: 1.497

2.5 よび点: 261 °C at 760 mmHg

2.6 PSA: 43.37000

2.7 logP: -0.15000

2.8 可溶性: 62.9g/l Hydrolysis

2.9 PH: 2.7 (10g/l, H2O)

3. セキュリティと処理

3.1 ハザードシンボル: Xn

3.2 リスクコード: R22;R36/37

3.3 危険性の説明: H302-H314-H317-H334-H335

3.4 WGKドイツ: 1

3.5 RTECS: WN0875000

4. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR スペクトル

13C NMR : in CDCl3

1H NMR : parameter in DMSO-d6

IR : KBr disc

IR : nujol mull

Mass

Mass spectrum (electron ionization)

6. 合成路線

108-30-5Total: 64 合成路線

110-15-6 501 しいれ業者

108-30-5 310 しいれ業者

文献:
Chemical Communications, , vol. 48, # 52 p. 6502 - 6504
産出: ~99%

108-31-6 101 しいれ業者

108-30-5 310 しいれ業者

文献:
Tetrahedron Letters, , vol. 33, # 35 p. 5007 - 5008
産出: ~94%

543-20-4 1 しいれ業者

108-30-5 310 しいれ業者

文献:
Journal of Organic Chemistry, , vol. 51, # 17 p. 3390 - 3391
産出: ~83%

すべてを表示

7. 計算化学データ

分子: 100.07276g/mol
分子式: C₄H₄O₃
Compound Is Canonicalized: True
XLogP3-AA: -0.5
Exact Mass: 100.016043985
Monoisotopic Mass: 100.016043985
Complexity: 102
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 43.4
Heavy Atom Count: 7
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAAACAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAACAAAEAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. 質問と答え

How is Succinic Anhydride Used in Enhancing Nanocomposites and Produced Sustainably? May 29 2024
General Description Succinic anhydride is crucial for modifying the surface of cellulose nanocrystals (CNC) to improve properties in polymeric nanocomposites. Researchers optimize surface characterist..
What are the Applications and Solubility of Succinic Anhydride? May 09 2024
Introduction Succinic anhydride (C4H4O3, molecular weight 100.07, CAS No. 108-30-5) is a white crystal with wide applications and promising prospects. It is a cyclic dicarboxylic anhydride and a tetra..
What is Succinic Anhydride and How is it Used? May 04 2024
Succinic anhydride is a colorless needle-like or granular crystalline substance with a slightly irritating odor. It is soluble in ethanol, chloroform, and carbon tetrachloride, slightly soluble in wa..
What Instruments are Needed for Transporting and Producing Succinic Anhydride in the Pharmaceutical Industry? Oct 28 2023
In the pharmaceutical industry, Succinic anhydride is a commonly used chemical substance, widely applied in the production processes of synthetic drugs and other chemicals. However, what instruments ..

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colorless crystal powder Succinic Anhydride ( SAA ) ( Butanedioic anhydride ) CAS NO 108-30-5

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Price: 1 USD/kilogram
Time: 2024/11/15

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Succinic anhydride