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57756-37-3

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Basic Information
CAS No.: 57756-37-3
Name: 7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
Article Data: 4
Molecular Structure:
Molecular Structure of 57756-37-3 (7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE)
Formula: C9H11ClN2
Molecular Weight: 182.653
Synonyms: 7-Chloro-2,3,4,5-tetrahydro-1Hbenzo[e][1,4]diazepine;
Density: 1.155 g/cm3
Boiling Point: 325.02 °C at 760 mmHg
Flash Point: 150.367 °C
PSA: 24.06000
LogP: 2.32190
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Specification

The CAS register number of 7-Chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is 57756-37-3. It also can be called as 1H-1,4-Benzodiazepine, 7-chloro-2,3,4,5-tetrahydro and the systematic name about this chemical is 7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine. The molecular formula about this chemical is C9H11ClN2 and the molecular weight is 182.65.

Physical properties about 7-Chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 22; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)Polar Surface Area: 24.06Å2; (10)Index of Refraction: 1.546; (11)Molar Refractivity: 50.018 cm3; (12)Molar Volume: 158.018 cm3; (13)Polarizability: 19.829x10-24cm3; (14)Surface Tension: 39.043 dyne/cm; (15)Enthalpy of Vaporization: 56.71 kJ/mol; (16)Boiling Point: 325.02 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2NCCNCc2c1
(2)InChI: InChI=1/C9H11ClN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
(3)InChIKey: UZKODBURRKASTJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H11ClN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
(5)Std. InChIKey: UZKODBURRKASTJ-UHFFFAOYSA-N