1,12-Dibromododecane - CAS 3344-70-5

Catalog:	BB021715
Product Name:	1,12-Dibromododecane
CAS:	3344-70-5
Synonyms:	1,12-dibromododecane

Technical Data

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Computed Properties

IUPAC Name:	1,12-dibromododecane
Description:	1,12-Dibromododecane (CAS# 3344-70-5) is a useful research chemical.
Molecular Weight:	328.13
Molecular Formula:	C12H24Br2
Canonical SMILES:	C(CCCCCCBr)CCCCCBr
InChI:	InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChI Key:	ZJJATABWMGVVRZ-UHFFFAOYSA-N
Boiling Point:	215 ℃ (15 mmHg)
Melting Point:	37-42 ℃
Purity:	95 %
Density:	1.297 g/cm³
Appearance:	Off-white powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00000226
LogP:	5.67720

Publication Number	Title	Priority Date
CN-113307728-A	Preparation method of populus canula pheromone	20210617
CN-113150214-A	Preparation method of self-repairing antibacterial hydrogel containing imidazolium salt	20210428
CN-113117754-A	Flower-shaped core-shell type magnetic mesoporous microsphere immobilized N-heterocyclic carbene cyclic palladium catalyst and preparation method and application thereof	20210414
CN-112574032-A	Improved method for preparing (Z, E) -12-tetradecene-1-alcohol acetate	20201229
CN-112538041-A	Bimolecular indole-2, 3-dione derivative and application thereof	20201207

PMID	Publication Date	Title	Journal
21522422	20110219	1,3-Dimethyl-3-tetra-decyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione	Acta crystallographica. Section E, Structure reports online
21588999	20101013	3-(12-Bromo-dodec-yl)-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione	Acta crystallographica. Section E, Structure reports online
19637154	20091110	Protonatable ionenes for nucleic acid complexation	Macromolecular bioscience
19194505	20090101	Selective and irreversible inhibitors of aphid acetylcholinesterases: steps toward human-safe insecticides	PloS one
16973363	20061215	Surface and biocidal activity of some synthesized metallo azobenzene isothiouronium salts	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P301+P312, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	82.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	328.02243
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	326.02448
Rotatable Bond Count:	11
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.9