S-PHENYL THIOACETATE
- Nom de l'IUPAC：S-phenyl ethanethioate
- Numéro CAS: 934-87-2
- Masse moléculaire：152.21
1. nom et identifiant
- 1.1 Nom du produit
- S-PHENYL THIOACETATE
- 1.2 synonymes
THIOACETIC ACID S-PHENYL ESTERS-PHENYL THIOACETATEPHENYL THIOACETATEAcetic acid, thio-, S-phenyl esterAceticacid,thio-,S-phenylesterEthanethioicacid,SphenylesterEthanethioicacid,S-phenylesterPhenyl thiolacetate
- 1.3 Numéro CAS
- 934-87-2
- 1.4 CID
- 13630
- 1.5 Numéro EINECS
- 213-294-2
- 1.6 Formule moléculaire
- C8H8OS (isomer)
- 1.7 Inchi
- InChI=1S/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
- 1.8 InchiKey
- WBISVCLTLBMTDS-UHFFFAOYSA-N
- 1.9 Canonique SMILES
- CC(=O)SC1=CC=CC=C1
- 1.10 Isomérique SMILES
- CC(=O)SC1=CC=CC=C1
2. Propriétés
- 2.1 Densité
- 1.124
- 2.2 Point de fusion
- 18-19 °C
- 2.3 Point d'ébullition
- 99 à 100 ° C 6 mm Hg (lit.)
- 2.4 Indice de réfraction
- 1.57
- 2.5 Point d'éclair
- 79 oC
- 2.6 PSA
- 42.37000
- 2.7 logP
- 2.32520
- 2.8 Stockage
- 2-8 ° C
3. Sécurité et Manipulation
- 3.1 RIDADR
- UN 3334
- 3.2 WGK Allemagne
- 2
- 3.3 RTECS
- AJ7559000
- 3.4 Sécurité et dangers
-
| RIDADR |
UN 3334 |
| WGK Allemagne |
2
|
| RTECS |
AJ7559000
|
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
934-87-2Total: 77 Route synthétique
7. données chimiques calculées
- Masse moléculaire: 152.21352g/mol
- Formule moléculaire: C8H8OS
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 152.02958605
- Monoisotopic Mass: 152.02958605
- Complexity: 116
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 42.4
- Heavy Atom Count: 10
- 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: AAADccBwIABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAAAAACACA0AAyAYAAAAiIACBSAAACAAAgCBAIiBgAAIgIICKgERCAIAAggAAoiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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9. informations réelles sur le produit
skype
4YRS
