1,7-Dichloro-heptan-4-one

HCID 246749CAS 40624-07-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CCCCl)CCCCl
InChIKey
SCKUIKDAPAUGBE-UHFFFAOYSA-N
Molecular formula
C7H12Cl2O
Average molar mass
183.07 g/mol
Monoisotopic mass
182.02652036

Names & identifiers

Preferred name
1,7-Dichloro-heptan-4-one
IUPAC
1,7-dichloroheptan-4-one
English name
1,7-Dichloroheptan-4-one
Molecular formula
C7H12Cl2O
Molecular weight
183.08

Names & synonyms

1,7-dichloro-heptan-4-oneRefChem:417783621-869-81,7-dichloroheptan-4-one40624-07-51,7-Dichloro-4-heptanone4-Heptanone, 1,7-dichloro-MFCD00019001chloropropyl ketoneNSC6020117-Dichloroheptan-4-one4-Heptanone,7-dichloro-
Show more names
1,7-dichloro-4-heptane1,7-DICHLOROHEPTANE-4-ONE1,7-DICHLORO-4-OXO-HEPTANE1,7-Dichloro-4-ketoheptane1,7-DICHLORO-4-OXO-HEPTANE, 98+%
SCHEMBL1685807SCHEMBL10804880DTXSID60289298NSC-60201AKOS006283183AB01251CS-W018764GS-3367

Database identifiers

CAS
40624-07-5
PubChem CID
246749
DTXSID
DTXSID60289298
EC Number
621-869-8
Nikkaji
J113.655K

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
10

Physicochemical properties

Boiling point
106 · 106-110 °C(Press: 4 Torr)
Density
1.116 · 1.116±0.06 g/cm3(Predicted)
storage temp.
Refrigerator, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
color
Beige to Brown

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses1,7-Dichloroheptan-4-one is a useful research chemical.

Upstream & downstream products

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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