1,7-Dichloro-heptan-4-one
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Basic information
- CAS
40624-07-5- 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 propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.6
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
- InChI
- InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2
- InChIKey
- SCKUIKDAPAUGBE-UHFFFAOYSA-N
- SMILES
- C(Cl)CCC(=O)CCCCl
- CAS DataBase Reference
- 40624 · 40624-07-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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