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Heptanoyl chloride

Heptanoyl chloride structure

CAS No:
2528-61-2
Formula:
C7H13ClO
Chemical Name:
Heptanoyl chloride
Synonyms:
Heptanoyl chloride;Enanthoyl chloride;n-Heptanoyl chloride;Enanthyl chloride;Heptanoic acid chloride
Categories:
Chemical Reagents > Organic Reagents

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Heptanoyl chloride Basic Attributes

Molecular Weight：

148.63

Exact Mass：

148.63

BRN：

605636

EC Number：

219-775-3

DSSTox ID：

DTXSID8062496

HScode：

2915900090

Characteristics

PSA：

17.1

XLogP3：

3.11

Appearance：

Clear colorless to light yellow Liquid

Density：

0.96645 g/cm³ @ Temp: 15 °C

Melting Point：

-83.8 °C

Boiling Point：

145 °C

Flash Point：

137 °F

Refractive Index：

1.429

Water Solubility：

Solubility in water: reaction

Storage Conditions：

-20°C

Vapor Pressure：

0.45 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2920 8/PG 2

wgk germany：

hazard class code：

26-34-37

safety instructions：

26-36/37/39-38-45-25

Marks：

T+,C

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P260-P280-P284-P305 + P351 + P338-P310

Hazard Statements：

H314-H330

GHS Classification：

|Danger|H290 (65%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P271, P280, P284, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P363, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 140 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Heptanoyl chloride Use and Manufacturing

Uses

Heptanoyl Chloride is used in the synthesis of novel class of 2-Aminopyrimidines as CDK1 and CDK2 inhibitors.

Manufacturing Info：

Heptanoyl chloride: ACTIVE

Computed Properties

Molecular Weight:148.63
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:148.0654927
Monoisotopic Mass:148.0654927
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:81
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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