3D Mol Similar

1,2-シクロペンタンジオール

: IUPAC名称：cyclopentane-1,2-diol; CAS登録番号: 4065-92-3; 分子量：102.1317

見積りを送ります

1. 名前と識別子

: 1.1 商品名; 1,2-シクロペンタンジオール; 1.2 同義語; 1,2-シクロペンタンジオール

1.3 CAS登録番号: 4065-92-3

1.4 CID: 95497

1.5 分子式: C5H10O2 (isomer)

1.6 Inchi: InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2

1.7 InchiKey: VCVOSERVUCJNPR-UHFFFAOYSA-N

1.8 標準的な SMILES: C1CC(C(C1)O)O

1.9 異性体 SMILES: C1CC(C(C1)O)O

2. 性質

2.1 PSA: 40.46

3. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

すべてを表示

4. 合成路線

4065-92-3Total: 19 合成路線

142-29-0 64 しいれ業者

4065-92-3 4 しいれ業者

文献:
Malla Reddy; Srinivasulu; Venkat Reddy; Narasimhulu; Venkateswarlu Tetrahedron Letters, 2006 , vol. 47, # 30 p. 5285 - 5288
産出: ~98%

285-67-6 121 しいれ業者

4065-92-3 4 しいれ業者

文献:
Singhal, Sweety; Jain, Suman L.; Sain, Bir Synthetic Communications, 2011 , vol. 41, # 12 p. 1829 - 1837
産出: ~94%

142-29-0 64 しいれ業者

285-67-6 121 しいれ業者

4065-92-3 4 しいれ業者

文献:
Meshechkina; Mel'Nik; Rybina; Srednev; Shevchuk Russian Journal of Applied Chemistry, 2012 , vol. 85, # 4 p. 661 - 665
産出: ~94%

すべてを表示

5. 前駆体と製品

上位製品:

64-17-5

67-63-0

285-67-6

933-06-2

7732-18-5

142-29-0

75-65-0

64-19-7

29974-65-0

67-56-1

下流製品 :

37854-32-3

285-67-6

35394-09-3

26620-22-4

6. 計算化学データ

分子: 102.133g/mol
分子式: C₅H₁₀O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 102.068079557
Monoisotopic Mass: 102.068079557
Complexity: 55.1
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 40.5
Heavy Atom Count: 7
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAEAAABAACAIAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAA==

7. 推奨ベンダー

Global4しいれ業者すべてを表示 >>

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

13YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

1,2-Cyclopentanediol

Purity:99%Packing: 200kg/bag FOB
Price: 2 USD/kilogram
Time: 2024/06/17

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1,2-Cyclopentanediol