5-Chlorodibenzosuberane - CAS 1210-33-9

Name: 5-Chlorodibenzosuberane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005021
Product Name:	5-Chlorodibenzosuberane
CAS:	1210-33-9
Synonyms:	2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

Technical Data

IUPAC Name:	2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Description:	5-Chlorodibenzosuberane (CAS# 1210-33-9) is used in the synthesis of atypical tricyclic antidepressant as well as dibenzosuberyl-substituted tropines as ligands for acetylcholine-binding protein. Dibenzosuberyl Chloride is also used in the preparation of amino protecting group for solid phase peptide synthesis.
Molecular Weight:	228.72
Molecular Formula:	C15H13Cl
Canonical SMILES:	C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl
InChI:	InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChI Key:	QPERNSDCEUTOTE-UHFFFAOYSA-N
Boiling Point:	321.7 °C at 760 mmHg
Purity:	> 95.0 % (LC)
Density:	1.19 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00003592
LogP:	4.11340

GHS Hazard Statement:	H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2017267680-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20151030
US-9988390-B2	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20151030
WO-2017072341-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20151030
WO-2017044575-A1	Constrained benzhydryl sulfonamides as anticancer and neuroprotective agents	20150909
CA-2953867-A1	Pyridopyrazine compounds and their use in the treatment, amelioration or prevention of influenza	20140707

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.0705781
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.0705781
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3