3-(Bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13.7]decane - CAS 157371-80-7

Name: 3-(Bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13.7]decane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011315
Product Name:	3-(Bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13.7]decane
CAS:	157371-80-7
Synonyms:	3-(bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane

Technical Data

IUPAC Name:	3-(bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
Description:	3-(Bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13.7]decane (CAS# 157371-80-7) is an intermediate in the synthesis of orthocarboxylic esters of cis-phloroglucitol.
Molecular Weight:	235.08
Molecular Formula:	C8H11BrO3
Canonical SMILES:	C1C2CC3CC1OC(O2)(O3)CBr
InChI:	InChI=1S/C8H11BrO3/c9-4-8-10-5-1-6(11-8)3-7(2-5)12-8/h5-7H,1-4H2
InChI Key:	CSXFBEUWUQOEEC-UHFFFAOYSA-N
Boiling Point:	266.3 °C at 760 mmHg
Melting Point:	95-97 °C
Purity:	95 %
Density:	1.66 g/cm³
Appearance:	Light grey crystals
Storage:	2-8 °C
MDL:	MFCD00077628
LogP:	1.40180

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-10759907-B2	Defined monomer sequence polymers	20150910
EP-1925620-A1	Polymerisation of ethylene and alpha olefins with single site catalysts having an anionic scorpion-like ligand	20061124
EP-2089399-B1	Polymerisation of ethylene and alpha olefins with single site catalysts having an anionic scorpion-like ligand	20061124
US-2010298122-A1	Polymerisation of Ethylene and Alpha Olefins with Single Site Catalysts having an Anionic Scorpion-Like Ligand	20061124
EP-1902074-A1	Single site catalyst systems having a scorpion-like structure	20050707

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.98916
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.98916
Rotatable Bond Count:	1
Topological Polar Surface Area:	27.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2