tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate supplier

Name
4-BROMOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 158407-04-6
Article Data22
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀BrNO₂
Boiling Point 318.337 °C at 760 mmHg
Molecular Weight 278.189
Flash Point 146.325 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 4-Bromomethyl-1-(tert-butoxycarbonyl)piperidine;4-Bromomethylpiperidine-1-carboxylic acid tert-butyl ester;[1-[tert-Butoxycarbonyl]-4-piperidinyl]methyl bromide;
PSA 29.54000
LogP 2.96630

tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate Specification

The Systematic name about this chemical is tert-butyl 4-(bromomethyl)piperidine-1-carboxylate. The cas register number of tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate is 158407-04-6. It also can be called as 1-Piperidinecarboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester.

Physical properties about tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 60; (6)ACD/BCF (pH 7.4): 60; (7)ACD/KOC (pH 5.5): 655; (8)ACD/KOC (pH 7.4): 655; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 63.866 cm³; (15)Molar Volume: 218.944 cm³; (16)Surface Tension: 36.996 dyne/cm; (17)Density: 1.271 g/cm³; (18)Flash Point: 146.325 °C; (19)Enthalpy of Vaporization: 55.983 kJ/mol; (20)Boiling Point: 318.337 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CBr
2.InChI: InChI=1/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
3.InChIKey: YGJXBTRLYHCWGD-UHFFFAOYAF
4.Std. InChI: InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3

Product Name

4-BROMOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate Specification

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