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4-IODOBUTYLACETATE

4-IODOBUTYLACETATE structure

CAS No:
40596-44-9
Formula:
C6H11IO2
Chemical Name:
4-IODOBUTYLACETATE
Synonyms:
4-IODOBUTYLACETATE;1-ACETOXY-4-IODOBUTANE;4-ACETOXY-BUTAN-1-IODIDE;4-iodo-1-butanolacetate;4-Iodobutylacetate,97%,stab;4-Iodobutylacetate,85%,tech.;ACETICACID4-IODO-BUTYLESTER;4-IODOBUTYLACETATE,TECH.,85%;4-Iodobutylacetate1-Acetoxy-4-iodobutane;4-Iodobutylacetate,97%,stab.withcopper
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR DARK BROWN LIQUID

4-IODOBUTYLACETATE Basic Attributes

Molecular Weight：

242.05500

Exact Mass：

241.98000

DSSTox ID：

DTXSID10369897

HScode：

2915390090

Characteristics

PSA：

26.30000

XLogP3：

1.76470

Appearance：

COLORLESS TO BROWN LIQUID

Density：

1.61 g/mL at 25 °C(lit.)

Boiling Point：

94-95 °C5.5 mm Hg(lit.)

Flash Point：

195 °F

Refractive Index：

n20/D 1.497(lit.)

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:242.05
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:241.98038
Monoisotopic Mass:241.98038
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes