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Hexanoyl chloride

Hexanoyl chloride structure

CAS No:
142-61-0
Formula:
C6H11ClO
Chemical Name:
Hexanoyl chloride
Synonyms:
Hexanoyl chloride;Caproyl chloride;n-Caproyl chloride;Caproic chloride;n-Hexanoyl chloride;Caproic acid chloride;Hexanoic acid chloride;1-Pentanecarbonyl chloride
Categories:
Chemical Reagents > Organic Reagents

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Hexanoyl chloride Basic Attributes

Molecular Weight：

134.6

Exact Mass：

134.60

EC Number：

215-138-9

UNII：

I7GE8HG3B2

DSSTox ID：

DTXSID8059718

HScode：

29159080

Characteristics

PSA：

17.1

XLogP3：

2.58

Appearance：

Clear colorless to pale yellow powder

Density：

0.98017 g/cm³ @ Temp: 15 °C

Melting Point：

-87 °C

Boiling Point：

153 °C

Flash Point：

122 °F

Refractive Index：

1.424

Water Solubility：

H2O: MAY DECOMPOSE;soluble in ether, chloroform.

Storage Conditions：

Flammables area

Vapor Pressure：

3.54mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2920 8/PG 2

wgk germany：

hazard class code：

34-22-14-10-37

safety instructions：

26-36/37/39-45-28B

RTECS Number：

EW3100000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H226-H314

GHS Classification：

|Danger|H226 (85.48%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 62 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hexanoyl chloride Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of ethanol and thionyl chloride. Thionyl chloride was mixed with n-hexanoic acid at 50-70°C, and reacted at 70-90°C for 4h. Distillation, collect 147-160 ℃ fractions, that is, hexanoyl chloride.

Uses

Used as an acylating agent for organic synthesis

Manufacturing Info：

Hexanoyl chloride: ACTIVE

Computed Properties

Molecular Weight:134.60
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:134.0498427
Monoisotopic Mass:134.0498427
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:70.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Thionyl chloride

Oxalyl chloride

Benzoyl chloride

Downstream Products

Calcium carbonate

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