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| CAS No.: | 4411-26-1 |
|---|---|
| Name: | 1-Adamantyl isothiocyanate |
| Article Data: | 35 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H15NS |
| Molecular Weight: | 193.313 |
| Synonyms: | Isothiocyanicacid, 1-adamantyl ester (7CI,8CI);Tricyclo(3.3.1.1(3,7))decane, 1-isothiocyanato-;1-Isothiocyanatoadamantane;Adamantyl isothiocyanate;NSC 529585; |
| EINECS: | 224-564-4 |
| Density: | 1.354 g/cm3 |
| Melting Point: | 166-168 °C(lit.) |
| Boiling Point: | 297.6 °C at 760 mmHg |
| Flash Point: | 138 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 44.45000 |
| LogP: | 3.05800 |
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Chemistry
Molecular structure of 1-Adamantyl isothiocyanate (CAS NO.4411-26-1) is:
Product Name: 1-Adamantyl isothiocyanate
CAS Registry Number: 4411-26-1
IUPAC Name: 1-Isothiocyanatoadamantane
Molecular Formula: C11H15NS
Molecular Weight: 193.3085 [g/mol]
XLogP3-AA: 4.2
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 224-564-4
Density: 1.35 g/cm3
Flash Point: 138 °C
Index of Refraction: 1.721
Boiling Point: 297.6 °C at 760 mmHg
Vapour Pressure: 0.00237 mmHg at 25°C
Melting point: 166-168 °C(lit.)
Appearance: White crystalline powder
Product categories: Adamantane derivatives;Sulfur Compounds;Thiocyanates/Isothiocyanates;Adamantanes;Organic Building Blocks
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)N=C=S
InChI: InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2 InChIKey: YPKFLUARLJRPQM-UHFFFAOYSA-N
Safety Profile
Safty information about 1-Adamantyl isothiocyanate (CAS NO.4411-26-1) is:
Hazard Codes: Xn.gif)
Risk Statements:
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37: Wear suitable gloves
39: Wear eye/face protection
Specification
1-Adamantyl isothiocyanate (CAS NO.4411-26-1) also can be called Tricyclo(3.3.1.1'3,7)dec-1-yl isocyanate and Tricyclo(3.3.1.1(3,7))decane, 1-isothiocyanato- .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately. In addition, it could stabilize existence.It is not compatible with strong oxidizing agents, acids, strong bases, alcohols, and you must not take it with incompatible materials, and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.