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9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE

9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE structure

CAS No:
70173-54-5
Formula:
C12H14BrN
Chemical Name:
9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE
Synonyms:
4-BROMO-JULOLIDINE;9-BROMO-JULOLIDINE;9-Bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline;1H,5H-Benzo[ij]quinolizine, 9-bromo-2,3,6,7-tetrahydro-;9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE

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Description

White Crystalline

9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE Basic Attributes

Molecular Weight：

252.155

Exact Mass：

251.03100

DSSTox ID：

DTXSID20373703

HScode：

29339900

Characteristics

PSA：

3.2

XLogP3：

3.5

Appearance：

White Crystalline

Density：

7 g/cm3

Melting Point：

155 °C

Boiling Point：

378.2°C at 760 mmHg

Flash Point：

182.5ºC

Refractive Index：

1.651

Safety Information

hazard class code：

R20/21/22

safety instructions：

S22-S36/37/39

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE Use and Manufacturing

A 10mL DMF solution of julolidine (675 mg, 3.90 mmol) and NBS(832 mg, 4.68 mmol) was stirred for 5 h at room temperature. Thecrude product was purified by silica column chromatography(hexane/methylene chloride3/1) to obtain JeBr (786 mg, 80percent) as ared oil. 1H NMR (500 MHz, CDCl3): d/ppm: 6.87 (s, 2H), 3.10 (t, 4H, J5.50 Hz), 2.70 (t, 4H, J6.35 Hz), 1.94 (m, 4H). 13CNMR(500 MHz, CDCl3): d/ppm: 142.0, 129.3, 123.7, 107.3, 50.0, 27.6, 21.9. IR (KBr, cm1): 3045, 2935, 2836, 1581, 1506, 1462, 1446, 1310. TOFMS-EI (m/z): calcd. for (M) C12H14NBr: 251.0310, found: 251.0309.

Computed Properties

Molecular Weight:252.15
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Exact Mass:251.03096
Monoisotopic Mass:251.03096
Topological Polar Surface Area:3.2
Heavy Atom Count:14
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

9-BROMO-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE

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