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3,5-Dichloro-2-pentanone

3,5-Dichloro-2-pentanone structure

CAS No:
58371-98-5
Formula:
C5H8Cl2O
Chemical Name:
3,5-Dichloro-2-pentanone
Synonyms:
2-Pentanone,3,5-dichloro-;3,5-Dichloro-2-pentanone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-Dichloro-2-pentanone Basic Attributes

Molecular Weight：

155.02242

Exact Mass：

155.02

EC Number：

261-227-0

Characteristics

PSA：

17.1

XLogP3：

1.81170

Density：

1.239 g/cm³ @ Temp: 15 °C

Boiling Point：

72-73 °C @ Press: 11 Torr

Flash Point：

82.3ºC

Refractive Index：

1.444

Safety Information

Precautionary statement(s)：

P201, P202, P260, P264, P270, P271, P280, P281, P284, P301+P312, P304+P340, P305+P351+P338, P308+P313, P310, P320, P330, P337+P313, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (97.14%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P271, P280, P281, P284, P301+P312, P304+P340, P305+P351+P338, P308+P313, P310, P320, P330, P337+P313, P403+P233, P405, and P501|Aggregated GHS information provided by 35 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:155.02
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:153.9952203
Monoisotopic Mass:153.9952203
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:82.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes