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6-Chloro-2-hexanone(CAS No. 10226-30-9)

6-Chloro-2-hexanone C6H11ClO (cas 10226-30-9) Molecular Structure

10226-30-9 Structure

Identification and Related Records

【Name】
6-Chloro-2-hexanone
【Iupac name】
6-chlorohexan-2-one
【CAS Registry number】
10226-30-9
【Synonyms】
1-Chlorohexan-5-one
4-Chlorobutyl methyl ketone
5-Oxohexyl chloride
6-Chloro-2-hexanone
【EINECS(EC#)】
233-546-5
【Molecular Formula】
C6H11 Cl O (Products with the same molecular formula)
【Molecular Weight】
134.6
【Inchi】
InChI=1/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
【Canonical SMILES】
CC(=O)CCCCCl
【MOL File】
10226-30-9.mol

Chemical and Physical Properties

【Appearance】
Clear yellow to brown liquid
【Density】
1.02
【Boiling Point】
85-87℃ (16 mmHg)
【Vapour】
0.224mmHg at 25°C
【Refractive Index】
1.4425-1.4445
【Flash Point】
195?
【Stability】
No data.
【Storage temp】
Freezer
【Computed Properties】
Molecular Weight:134.60394 [g/mol]
Molecular Formula:C6H11ClO
XLogP3-AA:1.2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:134.049843
MonoIsotopic Mass:134.049843
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Formal Charge:0
Complexity:70.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:45

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】

Hazard Codes:?IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22
?R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.

【Specification】

?6-Chloro-2-hexanone , its cas register number is 10226-30-9. It also can be called 2-Hexanone, 6-chloro- . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: ?Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, 6-Chloro-2-hexanone (CAS NO.10226-30-9) is not compatible with strong oxidizing agents, acids, acid chlorides, carbon dioxide, acid anhydrides, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide.

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