-
Name
TERT-BUTYL 5-BROMO-1H-INDAZOLE-1-CARBOXYLATE
- EINECS
- CAS No. 651780-02-8
- Article Data24
- CAS DataBase
- Density 1.46
- Solubility
- Melting Point
- Formula C12H13 Br N2 O2
- Boiling Point 377℃
- Molecular Weight 297.151
- Flash Point 182℃
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,1-Dimethylethyl5-bromo-1H-indazole-1-carboxylate; 1-(tert-Butoxycarbonyl)-5-bromoindazole;5-Bromoindazole-1-carboxylic acid tert-butyl ester; tert-Butyl5-bromo-1H-indazole-1-carboxylate
- PSA 44.12000
- LogP 3.58200
1H-Indazole-1-carboxylicacid, 5-bromo-, 1,1-dimethylethyl ester Chemical Properties
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Molecular Formula: C12H13BrN2O2
Molecular Weight: 297.15 g/mol
Canonical SMILES: CC(C)(C)OC(=O)n2ncc1cc(Br)ccc12
InChI: InChI=1/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,1-3H3
Mol File: 651780-02-8.mol
Nominal Mass: 296
Average Mass: 297.1478
Monoisotopic Mass: 296.016033
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 44.12
Index of Refraction: 1.599
Molar Refractivity: 69.53 cm3
Molar Volume: 203.3 cm3
Polarizability: 27.56×10-24cm3
Surface Tension: 43.6 dyne/cm
Density: 1.46 g/cm3
Flash Point: 182 °C
Enthalpy of Vaporization: 62.52 kJ/mol
Boiling Point: 377.4 °C at 760 mmHg
Vapour Pressure of 1H-Indazole-1-carboxylicacid, 5-bromo-, 1,1-dimethylethyl ester (CAS NO.651780-02-8): 6.77E-06 mmHg at 25 °C
1H-Indazole-1-carboxylicacid, 5-bromo-, 1,1-dimethylethyl ester Safety Profile
Hazard Note of 1H-Indazole-1-carboxylicacid, 5-bromo-,1,1-dimethylethyl ester (CAS NO.651780-02-8): Harmful
1H-Indazole-1-carboxylicacid, 5-bromo-, 1,1-dimethylethyl ester Specification
1H-Indazole-1-carboxylicacid, 5-bromo-, 1,1-dimethylethyl ester (CAS NO.651780-02-8), its Synonyms
are 1-Boc-6-bromo-indazole ; 6-Bromo-indazole-1-carboxylic acid tert-butyl ester ; 5-Bromo-1H-indazole,
N1-Boc protected ; Tert-butyl 5-bromo-1H-indazole-1-carboxylate ; 1-Boc-5-bromoindazole ; 5-Bromo-1H-
indazole, N1-BOC protected 90% .
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