(1S)-TRANS-1,2-CYCLOPENTANEDIOL
- Nom de l'IUPAC：(1S,2S)-cyclopentane-1,2-diol
- Numéro CAS: 63261-45-0
- Masse moléculaire：102.13
1. nom et identifiant
- 1.1 Nom du produit
- (1S)-TRANS-1,2-CYCLOPENTANEDIOL
- 1.2 synonymes
(1S)-TRANS-1,2-CYCLOPENTANEDIOL(1S,2S)-(+)-TRANS-1,2-CYCLOPENTANEDIOL(1S,2S)-TRANS-1,2-CYCLOPENTANEDIOL(1S)-trans-1,2-Cyclopentanediol, (1S,2S)-trans-1,2-Cyclopentanediol
- 1.3 Numéro CAS
- 63261-45-0
- 1.4 CID
- 11400736
- 1.5 Numéro EINECS
- 225-757-6
- 1.6 Formule moléculaire
- C5H10O2 (isomer)
- 1.7 Inchi
- InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m0/s1
- 1.8 InchiKey
- VCVOSERVUCJNPR-WHFBIAKZSA-N
- 1.9 Canonique SMILES
- C1CC(C(C1)O)O
- 1.10 Isomérique SMILES
- C1C[C@@H]([C@H](C1)O)O
2. Propriétés
- 2.1 Densité
- 1.235
- 2.2 Point de fusion
- 46 à 50 ° C
- 2.3 Point d'ébullition
- 136 ° C / 21.5 mmHg (lit.)
- 2.4 Indice de réfraction
- 1.547
- 2.5 Point d'éclair
- 113 °C
- 2.6 PSA
- 40.46000
- 2.7 logP
- -0.10790
- 2.8 Stockage
- 2-8 ° C
3. Sécurité et Manipulation
- 3.1 Phrase S
- 22-24 / 25
- 3.2 WGK Allemagne
- 3
- 3.3 Sécurité et dangers
-
| Phrase S |
22-24 / 25 |
| WGK Allemagne |
3
|
| F |
3-10 |
4. MSDS
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
6. Route synthétique
63261-45-0Total: 13 Route synthétique
7. Précurseurs et produits
8. données chimiques calculées
- Masse moléculaire: 102.13g/mol
- Formule moléculaire: 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: 2
- 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: AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAEAAABAACAIAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAA==
9. Fournisseurs recommandés
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- Products:custom synthesis,Lab reagent,CRO,CMO,R&D research chemicals.such as CAS:4651-67-6;CAS:99-16-1;CAS:145100-50-1
- Tel:86-27-87465837
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- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/04/01
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10. informations réelles sur le produit
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