tert-Butyl N-(2-bromoethyl)carbamate supplier

Name
tert-Butyl N-(2-bromoethyl)carbamate
EINECS
CAS No. 39684-80-5
Article Data139
CAS DataBase
Density 1.321 g/cm³
Solubility
Melting Point 30-32 °C(lit.)
Formula C₇H₁₄BrNO₂
Boiling Point 262.288 °C at 760 mmHg
Molecular Weight 224.098
Flash Point 112.428 °C
Transport Information
Appearance White solid
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, (2-bromoethyl)-, 1,1-dimethylethyl ester (9CI);(2-Bromoethyl)carbamicacid tert-butyl ester;1,1-Dimethylethyl (2-bromoethyl)carbamate;2-(Boc-amino)ethyl bromide;2-(N-Boc-amino)ethyl bromide;2-Bromo-1-[(tert-butoxycarbonyl)amino]ethane;2-Bromo-N-(tert-butoxycarbonyl)ethanamine;2-[(tert-Butoxycarbonyl)amino]ethylbromide;N-(2-Bromoethyl)-(tert-butoxycarbonyl)amine;N-(2-Bromoethyl)carbamic acidtert-butyl ester;N-(tert-Butoxycarbonyl)-2-bromoethylamine;N-Boc-2-bromoethanamine;tert-Butyl (2-bromoethyl)carbamate;tert-Butyl N-(2-bromoethyl)carbamate;
PSA 38.33000
LogP 2.29690

tert-Butyl N-(2-bromoethyl)carbamate Specification

The Carbamic acid,N-(2-bromoethyl)-, 1,1-dimethylethyl ester with the CAS number 39684-80-5 is also called (2-Bromoethyl)carbamicacid tert-butyl ester. Both the systematic name and IUPAC name are tert-butyl N-(2-bromoethyl)carbamate. Its molecular formula is C₇H₁₄BrNO₂. The product category is Miscellaneous Reagents. This chemical should be stored at −20°C.

The properties of the Carbamic acid,N-(2-bromoethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.961; (4)ACD/LogD (pH 7.4): 1.961; (5)ACD/BCF (pH 5.5): 18.224; (6)ACD/BCF (pH 7.4): 18.223; (7)ACD/KOC (pH 5.5): 277.96; (8)ACD/KOC (pH 7.4): 277.948; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 47.546 cm³; (15)Molar Volume: 169.611 cm³; (16)Polarizability: 18.849×10^-24cm³; (17)Surface Tension: 34.335 dyne/cm; (18)Enthalpy of Vaporization: 50.006 kJ/mol; (19)Vapour Pressure: 0.011 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCBr
(2)InChI: InChI=1/C7H14BrNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)
(3)InChIKey: TZRQZPMQUXEZMC-UHFFFAOYAQ

Product Name

tert-Butyl N-(2-bromoethyl)carbamate

tert-Butyl N-(2-bromoethyl)carbamate Specification

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