tert-Butyl 3-bromopropylcarbamate supplier

Name
tert-Butyl 3-bromopropylcarbamate
EINECS
CAS No. 83948-53-2
Article Data10
CAS DataBase
Density 1.279 g/cm³
Solubility
Melting Point 37-39 °C
Formula C₈H₁₆BrNO₂
Boiling Point 285.286 °C at 760 mmHg
Molecular Weight 238.125
Flash Point 126.337 °C
Transport Information
Appearance White low melting solid
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, (3-bromopropyl)-, 1,1-dimethylethyl ester (9CI);(3-Bromopropyl)carbamicacid 1,1-dimethylethyl ester;(3-Bromopropyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl (3-bromopropyl)carbamate;1-[(tert-Butoxycarbonyl)amino]-3-bromopropane;3-(BOC-amino)propyl bromide;3-Bromo-N-(tert-butoxycarbonyl)propylamine;3-Bromopropylcarbamic acidtert-butyl ester;3-[(tert-Butoxycarbonyl)amino]propyl bromide;N-(3-Bromopropyl)-N-[(1,1-dimethylethoxy)carbonyl]amine;N-(3-Bromopropyl)carbamic acid tert-butyl ester;N-(tert-Butyloxycarbonyl)-3-bromopropylamine;N-Boc-3-bromopropanamine;N-Boc-3-bromopropylamine;N-tert-Butoxycarbonyl-3-bromopropylamine;tert-Butyl (3-bromopropyl)carbamate;
PSA 38.33000
LogP 2.68700

tert-Butyl 3-bromopropylcarbamate Specification

The tert-Butyl 3-bromopropylcarbamate with the CAS number 83948-53-2 is also called Carbamic acid,N-(3-bromopropyl)-, 1,1-dimethylethyl ester. Both the systematic name and IUPAC name are tert-butyl N-(3-bromopropyl)carbamate. Its molecular formula is C₈H₁₆BrNO₂. This chemical should be stored at 2-8°C. It is white low melting solid.

The properties of the tert-Butyl 3-bromopropylcarbamate are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.371; (4)ACD/LogD (pH 7.4): 2.371; (5)ACD/BCF (pH 5.5): 37.319; (6)ACD/BCF (pH 7.4): 37.319; (7)ACD/KOC (pH 5.5): 464.304; (8)ACD/KOC (pH 7.4): 464.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.33Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 52.179 cm³; (15)Molar Volume: 186.118 cm³; (16)Polarizability: 20.685×10^-24cm³; (17)Surface Tension: 34.282 dyne/cm; (18)Enthalpy of Vaporization: 52.432 kJ/mol; (19)Vapour Pressure: 0.003 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)NCCCBr
(2)InChI: InChI=1/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
(3)InChIKey: IOKGWQZQCNXXLD-UHFFFAOYAN

Product Name

tert-Butyl 3-bromopropylcarbamate

tert-Butyl 3-bromopropylcarbamate Specification

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