4635-59-0

Product Name: 4-Chlorobutyryl chloride

Formula: C4H6Cl2O

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

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 Å²
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.