N-(tert-Butoxycarbonyl)-4-bromoaniline supplier

Name
TERT-BUTYL N-(4-BROMOPHENYL)-CARBAMATE
EINECS
CAS No. 131818-17-2
Article Data94
CAS DataBase
Density 1.398 g/cm³
Solubility
Melting Point 103-106 °C(lit.)
Formula C₁₁H₁₄BrNO₂
Boiling Point 281.126 °C at 760 mmHg
Molecular Weight 272.142
Flash Point 123.821 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (4-bromophenyl)-, 1,1-dimethylethyl ester (9CI);(4-Bromophenyl)carbamicacid tert-butyl ester;4-Bromo-N-BOC-aniline;tert-Butyl N-(4-bromophenyl)carbamate;N-tert-Butoxycarbonyl-4-bromobenzenamine;tert-Butyl (4-bromophenyl)carbamate;N-Boc-4-bromoaniline;N-tert-Butoxycarbonyl-4-bromoaniline;4-Bromo-N-(tert-butoxycarbonyl)aniline;(4-Bromophenyl)carbamic acid tert-butyl ester;
PSA 38.33000
LogP 3.86910

N-(tert-Butoxycarbonyl)-4-bromoaniline Specification

The Carbamic acid,N-(4-bromophenyl)-, 1,1-dimethylethyl ester, with CAS registry number 131818-17-2, belongs to the following product categories: (1)Nitrogen Compounds; (2)Organic Building Blocks; (3)Protected Amines. It has the systematic name of tert-butyl (4-bromophenyl)carbamate. And the chemical formula of this chemical is C₁₁H₁₄BrNO₂.

Physical properties of Carbamic acid,N-(4-bromophenyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 859.7; (6)ACD/BCF (pH 7.4): 859.7; (7)ACD/KOC (pH 5.5): 4385.36; (8)ACD/KOC (pH 7.4): 4385.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 63.82 cm³; (15)Molar Volume: 194.6 cm³; (16)Polarizability: 25.3×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.398 g/cm³; (19)Flash Point: 123.8 °C; (20)Enthalpy of Vaporization: 51.99 kJ/mol; (21)Boiling Point: 281.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00363 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Carbamic acid,N-(4-bromophenyl)-, 1,1-dimethylethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1ccc(NC(=O)OC(C)(C)C)cc1
(2)InChI: InChI=1/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
(3)InChIKey: VLGPDTPSKUUHKR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
(5)Std. InChIKey: VLGPDTPSKUUHKR-UHFFFAOYSA-N

Product Name

TERT-BUTYL N-(4-BROMOPHENYL)-CARBAMATE

N-(tert-Butoxycarbonyl)-4-bromoaniline Specification

Related Products

Hot Products