butyl 2-chlorobenzoate 52468-48-1 CAS NO.52468-48-1

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

Benzoic acid,2-chloro-, butyl ester
butyl 2-chlorobenzoate
52468-48-1

Quick Details

ProName: butyl 2-chlorobenzoate 52468-48-1
CasNo: 52468-48-1
Molecular Formula: C11H13ClO2
Appearance: Liquid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

Superiority

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4.customs synthesis

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Details

identification and related records
【name】
benzoic acid,2-chloro-, butyl ester
【iupac name】
butyl 2-chlorobenzoate
【cas registry number】
52468-48-1
【synonyms】
benzoic acid,o-chloro-, butyl ester (7ci)
butyl 2-chlorobenzoate
butyl o-chlorobenzoate
nsc 8228
n-butyl 2-chlorobenzoate
【molecular formula】
c11h13 cl o2 (products with the same molecular formula)
【molecular weight】
212.6727
【inchi】
inchi=1/c11h13clo2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7h,2-3,8h2,1h3
【canonical smiles】
ccccoc(=o)c1=cc=cc=c1cl
chemical and physical properties
【density】
1.126g/cm3
【boiling point】
278.9°cat760mmhg
【refractive index】
1.513
【flash point】
129.8°c
【computed properties】
molecular weight:212.67272 [g/mol]
molecular formula:c11h13clo2
xlogp3:5.1
h-bond donor:0
h-bond acceptor:2
rotatable bond count:5
exact mass:212.060407
monoisotopic mass:212.060407
topological polar surface area:26.3
heavy atom count:14
formal charge:0
complexity:182
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:1
feature 3d ring count:1
effective rotor count:5
conformer sampling rmsd:0.6
cid conformer count:96