1H-Pyrrole-1-d (9CI) supplier

Name
PYRROLE-ND
EINECS
CAS No. 10162-82-0
Article Data8
CAS DataBase
Density 1.005 g/cm³
Solubility
Melting Point
Formula C₄H₄DN
Boiling Point 129.8 °C at 760 mmHg
Molecular Weight 68.0825
Flash Point 33.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrole-1-d(6CI,7CI,8CI);Pyrrole-N-d;
PSA 15.79000
LogP 1.01470

1H-Pyrrole-1-d (9CI) Specification

The 1H-Pyrrole-1-d (9CI), with the CAS registry number 10162-82-0, is also known as Deuteriopyrrole. This chemical's molecular formula is C₄H₄DN and molecular weight is 68.0954. Its systematic name is called (1-²H)-1H-pyrrole.

Physical properties of 1H-Pyrrole-1-d (9CI): (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.19; (5)ACD/BCF (pH 7.4): 2.19; (6)ACD/KOC (pH 5.5): 60.95; (7)ACD/KOC (pH 7.4): 60.95; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.522; (11)Molar Refractivity: 20.68 cm³; (12)Molar Volume: 67.7 cm³; (13)Surface Tension: 36.7 dyne/cm; (14)Density: 1.005 g/cm³; (15)Flash Point: 33.3 °C; (16)Enthalpy of Vaporization: 38.75 kJ/mol; (17)Boiling Point: 129.8 °C at 760 mmHg; (18)Vapour Pressure: 12.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]n1cccc1
(2)InChI: InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H/i/hD
(3)InChIKey: KAESVJOAVNADME-DYCDLGHIES

Product Name

PYRROLE-ND

1H-Pyrrole-1-d (9CI) Specification

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