7-Nitro-1,2,3,4-tetrahydroquinoline - CAS 30450-62-5

Catalog:	BB020598
Product Name:	7-Nitro-1,2,3,4-tetrahydroquinoline
CAS:	30450-62-5
Synonyms:	7-nitro-1,2,3,4-tetrahydroquinoline; 7-nitro-1,2,3,4-tetrahydroquinoline

Technical Data

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Computed Properties

IUPAC Name:	7-nitro-1,2,3,4-tetrahydroquinoline
Description:	7-Nitro-1,2,3,4-tetrahydroquinoline (CAS# 30450-62-5) is a useful research chemical.
Molecular Weight:	178.19
Molecular Formula:	C9H10N2O2
Canonical SMILES:	C1CC2=C(C=C(C=C2)[N+](=O)[O-])NC1
InChI:	InChI=1S/C9H10N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2
InChI Key:	WSWMGHRLUYADNA-UHFFFAOYSA-N
Boiling Point:	325.2 °C at 760 mmHg
Density:	1.236 g/cm³
MDL:	MFCD00496654
LogP:	2.61410

Publication Number	Title	Priority Date
CN-112574106-A	Synthesis method of 7-amino-5-bromoquinoline	20201111
CN-111494380-A	Application of DB-1 in preparation of medicine for preventing and treating N L RP3 inflammasome-related diseases and pharmaceutical composition thereof	20200601
US-2021171455-A1	Alpha-5 beta-1 inhibitors	20191210
WO-2021119199-A1	Alpha-5 beta-1 inhibitors	20191210
CN-110511182-A	A kind of method of continuous flow reaction synthesis 7- nitro -1,2,3,4- tetrahydroquinoline	20190903

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GHS Hazard Statement:	H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.074227566
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.074227566
Rotatable Bond Count:	0
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3