1H-Indole-1-carboxylicacid, 3-bromo-2-methyl-, 1,1-dimethylethyl ester supplier

Name
3-BROMO-2-METHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS 604-604-1
CAS No. 775305-12-9
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆BrNO₂
Boiling Point 384.4 °C at 760 mmHg
Molecular Weight 310.19
Flash Point 186.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Bromo-2-methylindole-1-carboxylicacid tert-butyl ester;
PSA 31.23000
LogP 4.49540

1H-Indole-1-carboxylicacid, 3-bromo-2-methyl-, 1,1-dimethylethyl ester Specification

The 1H-Indole-1-carboxylicacid, 3-bromo-2-methyl-, 1,1-dimethylethyl ester, with the CAS registry number 775305-12-9, is also known as 1-Boc-3-bromo-2-methylindole. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₄H₁₆BrNO₂ and molecular weight is 310.19. What's more, its systematic name is called tert-Butyl 3-bromo-2-methyl-indole-1-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Indole-1-carboxylicacid, 3-bromo-2-methyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.09; (4)ACD/LogD (pH 7.4): 5.09; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 31.23 Å²; (9)Index of Refraction: 1.57; (10)Molar Refractivity: 75.51 cm³; (11)Molar Volume: 230 cm³; (12)Surface Tension: 38.4 dyne/cm; (13)Density: 1.34 g/cm³; (14)Flash Point: 186.3 °C; (15)Enthalpy of Vaporization: 63.3 kJ/mol; (16)Boiling Point: 384.4 °C at 760 mmHg; (17)Vapour Pressure: 4.12E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(c2ccccc2n1C(=O)OC(C)(C)C)Br
(2) InChI: InChI=1/C14H16BrNO2/c1-9-12(15)10-7-5-6-8-11(10)16(9)13(17)18-14(2,3)4/h5-8H,1-4H3
(3) InChIKey: RUAYZSFSPSZYHI-UHFFFAOYAV

Product Name

3-BROMO-2-METHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

1H-Indole-1-carboxylicacid, 3-bromo-2-methyl-, 1,1-dimethylethyl ester Specification

Related Products

Hot Products