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4635-59-0

4635-59-0 structural image
Product Name: 4-Chlorobutyryl chloride
Formula: C4H6Cl2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Light gold liquid; [MSDSonline]
Boiling Point 173.5 °C
Solubility Soluble in ethanol
Density 1.258
Vapor Pressure 1.32 [mmHg]
Refractive Index Index of refraction = 1.462
Kovats Retention Index 959.7
Other Experimental Properties Hydroxyl radical reaction rate constant = 1.8X10-12 cu cm/molec-sec at 25 °C /Estimated/
Chemical Classes Toxic Gases & Vapors -> Acid Halides

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H290:Corrosive to Metals
H302:Acute toxicity,oral
H314:Skin corrosion/irritation
H330:Acute toxicity,inhalation
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 140.99 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 139.9795702 g/mol
Monoisotopic Mass 139.9795702 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 62.7
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
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

Description

4-Chlorobutyryl chloride is mainly used in the manufacturing of Fexofenadine APl. lt is also used in the preparation of mitosene and mitosane analogs of Mitomycin c(M371900), an antitumor antibiotic.

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