1H-Indole-1-carboxylicacid, 6-chloro-, 1,1-dimethylethyl ester supplier

Name
1-BOC-6-CHLOROINDOLE
EINECS
CAS No. 323580-68-3
Article Data6
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point 85-87 °C
Formula C₁₃H₁₄ClNO₂
Boiling Point 349.9 °C at 760 mmHg
Molecular Weight 251.713
Flash Point 165.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Chloroindole-1-carboxylicacid tert-butyl ester;tert-Butyl 6-chloroindole-1-carboxylate;
PSA 31.23000
LogP 4.07790

1H-Indole-1-carboxylicacid, 6-chloro-, 1,1-dimethylethyl ester Specification

The CAS register number of 1H-Indole-1-carboxylicacid, 6-chloro-, 1,1-dimethylethyl ester is 323580-68-3. It also can be called as 6-Chloroindole-1-carboxylicacid tert-butyl ester and the systematic name about this chemical is tert-butyl 6-chloroindole-1-carboxylate. The molecular formula about this chemical is C₁₃H₁₄ClNO₂ and the molecular weight is 251.70876. It belongs to the following product categories which include Blocks; IndolesOxindoles; Indole and so on.

Physical properties about 1H-Indole-1-carboxylicacid, 6-chloro-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 4.46; (3)ACD/LogD (pH 7.4): 4.46; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.23Å²; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 68.13 cm³; (9)Molar Volume: 211.5 cm³; (10)Polarizability: 27x10^-24cm³; (11)Surface Tension: 38.4 dyne/cm; (12)Flash Point: 165.4 °C; (13)Enthalpy of Vaporization: 59.45 kJ/mol; (14)Boiling Point: 349.9 °C at 760 mmHg; (15)Vapour Pressure: 4.55E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)n1ccc2c1cc(cc2)Cl
(2)InChI: InChI=1/C13H14ClNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3
(3)InChIKey: UEXNCLFRKGJYDV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H14ClNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3
(5)Std. InChIKey: UEXNCLFRKGJYDV-UHFFFAOYSA-N

Product Name

1-BOC-6-CHLOROINDOLE

1H-Indole-1-carboxylicacid, 6-chloro-, 1,1-dimethylethyl ester Specification

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