Butane,1-[2-bromo-1-(bromomethyl)ethoxy]- 5442-16-0 CAS NO.5442-16-0

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Product Details

Keywords

Butane,1-[2-bromo-1-(bromomethyl)ethoxy]-
5442-16-0
98%

Quick Details

ProName: Butane,1-[2-bromo-1-(bromomethyl)ethox...
CasNo: 5442-16-0
Molecular Formula: C7H14 Br2 O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
Butane,1-[2-bromo-1-(bromomethyl)ethoxy]-
【CAS Registry number】
5442-16-0
【Synonyms】
NSC 14096
【Molecular Formula】
C7H14 Br2 O (Products with the same molecular formula)
【Molecular Weight】
273.9935
【Inchi】
InChI=1/C7H14Br2O/c1-2-3-4-10-7(5-8)6-9/h7H,2-6H2,1H3
【Canonical SMILES】
CCCCOC(CBr)CBr
Chemical and Physical Properties
【Density】
1.546g/cm3
【Boiling Point】
269.4°Cat760mmHg
【Refractive Index】
1.494
【Flash Point】
106.9°C
【Computed Properties】
Molecular Weight:273.99346 [g/mol]
Molecular Formula:C7H14Br2O
XLogP3-AA:2.9
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:6
Exact Mass:273.939094
MonoIsotopic Mass:271.94114
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Formal Charge:0
Complexity:64.6
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:3
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:120

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