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CAS No.: | 26227-54-3 |
---|---|
Name: | Cyclohexylamine hydrobromide |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H14BrN |
Molecular Weight: | 180.088 |
Synonyms: | Cyclohexanamine,hydrobromide (9CI);Cyclohexylamine, hydrobromide (8CI);Cyclohexylammoniumbromide;NSC 613661; |
EINECS: | 247-526-9 |
Density: | 0.868 g/ml |
Melting Point: | 196-199 °C |
Boiling Point: | 134.5 °C at 760 mmHg |
Flash Point: | 32.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 26.02000 |
LogP: | 2.93620 |
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The CAS register number of Cyclohexylamine hydrobromide is 26227-54-3. It also can be called as Cyclohexanamine,hydrobromide (1:1) and the IUPAC name about this chemical is cyclohexanamine hydrobromide. The molecular formula about this chemical is C6H14BrN and the molecular weight is 180.09. It belongs to the Pharmaceutical Intermediates.
Physical properties about Cyclohexylamine hydrobromide are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): -1.7; (3)ACD/LogD (pH 7.4): -1.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24Å2; (12)Flash Point: 32.2 °C; (13)Enthalpy of Vaporization: 36.14 kJ/mol; (14)Boiling Point: 134.5 °C at 760 mmHg; (15)Vapour Pressure: 8.07 mmHg at 25°C.
Preparation: this chemical can be prepared by bromo-trimethyl-silane and t-BuPhP(S)S(1-)*(1+)NH3C6H11. This reaction will also produce trimethylsilyl t-butylphenyldithiophosφnate. It will need solvent CCl4. The yield is about 95%.
Uses of Cyclohexylamine hydrobromide: it can be used to produce cyclohexyl-thiourea with thiocyanic acid; potassium salt at heating. This reaction is a kind of Addition. It will need solvent tetrahydrofuran. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Br.NC1CCCCC1
(2)InChI: InChI=1/C6H13N.BrH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
(3)InChIKey: QOHWJRRXQPGIQW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H13N.BrH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
(5)Std. InChIKey: QOHWJRRXQPGIQW-UHFFFAOYSA-N