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1-IODO-3-PHENYLPROPANE

1-IODO-3-PHENYLPROPANE structure

CAS No:
4119-41-9
Formula:
C9H11I
Chemical Name:
1-IODO-3-PHENYLPROPANE
Synonyms:
Hydrocinnamyliodide;(1-iodopropyl)benzene;4-n-Propyliodobenzene;3-Phenylpropyliodide;(3-Iodopropyl)benzene;1-Phenyl-3-iodopropane;1-Iodo-3-phenylpropane97%;3-Iodo-1-phenylpropane,97%
Categories:
Pharmaceutical Intermediates > Antineoplastics

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1-IODO-3-PHENYLPROPANE Basic Attributes

Molecular Weight：

246.08800

Exact Mass：

245.99100

DSSTox ID：

DTXSID00194110

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.05420

Density：

1.561g/cm3

Melting Point：

54-56 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))

Boiling Point：

248ºC at 760mmHg

Flash Point：

104.9ºC

Refractive Index：

n20/D 1.5820(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Drug Information

Metabolism/Metabolites：

1-iodo-3-phenylpropane has known human metabolites that include 3-phenylpropyl-glutathione.

Computed Properties

Molecular Weight:246.09
XLogP3:3.9
Rotatable Bond Count:3
Exact Mass:245.99055
Monoisotopic Mass:245.99055
Heavy Atom Count:10
Complexity:74.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Grade: Industrial Grade

Content: 95%

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