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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 246749Generated: October 25, 2026

1,7-Dichloro-heptan-4-one

1,7-dichloro-4-heptane · 1,7-Dichloro-4-Heptanone · 1,7-DICHLOROHEPTANE-4-ONE · 1,7-DICHLORO-HEPTAN-4-ONE · 1,7-DICHLORO-4-OXO-HEPTANE · 4-Heptanone, 1,7-dichloro- · 1,7-Dichloro-4-ketoheptane · 1,7-DICHLORO-4-OXO-HEPTANE, 98+%

https://huagongshe.com/en/chemical/246749

1,7-Dichloro-heptan-4-one molecular structure

Identifiers & Physical Properties

CAS No.40624-07-5
Molecular formulaC7H12Cl2O
Average molar mass183.07 g/mol
Monoisotopic mass182.02652036 g/mol
SMILESO=C(CCCCl)CCCCl
InChIKeySCKUIKDAPAUGBE-UHFFFAOYSA-N
PubChem CID246749
EC No.621-869-8
DTXSIDDTXSID60289298

Chemical & Physical Properties

XLogP1.7
Topological polar surface area17.1
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds6
Heavy atoms10
Formal charge0
Complexity83.6
Boiling point106-110 °C(Press: 4 Torr)
Density1.116±0.06 g/cm3(Predicted)
Storage conditionsRefrigerator, Under inert atmosphere
SolubilityChloroform (Slightly), Methanol (Slightly)
Physical stateOil
ColorBeige to Brown
InChIInChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2
InChIKeySCKUIKDAPAUGBE-UHFFFAOYSA-N
SMILESC(Cl)CCC(=O)CCCCl
CAS DataBase Reference40624-07-5(CAS DataBase Reference)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP261-P280-P305+P351+P338

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP261-P280-P305+P351+P338

Applications & Uses

Uses

1,7-Dichloroheptan-4-one is a useful research chemical.