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Your Location：Home>Product Center >> Pesticide API and intermediates >> Chloropinacoline
  • Chloropinacoline
Name:Chloropinacoline
CAS No:13547-70-1

PRODUCT DESCRIPTION

【Name】
Chloropinacoline
【Iupac name】
1-chloro-3,3-dimethylbutan-2-one
【CAS Registry number】
13547-70-1
【Synonyms】
1-Chloropinacolone
1-Chloro-3,3-dimethyl-2-butanone
1-chloro-3,3-methyl-D-2-one
1-Chloro-3,3-dimethylbutan-2-one
【EINECS(EC#)】
236-920-6
【Molecular Formula】
C6H11ClO (Products with the same molecular formula)
【Molecular Weight】
134.6
【Inchi】
InChI=1/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
【InChIKey】
ULSAJQMHTGKPIY-UHFFFAOYSA-N
【Canonical SMILES】
CC(C)(C)C(=O)CCl
【MOL File】
13547-70-1.mol

Chemical and Physical Properties

【Appearance】
Clear, light yellow liquid.
【Density】
1.03
【Melting Point】
-1℃
【Boiling Point】
170-173℃
【Vapour】
1.39mmHg at 25°C
【Refractive Index】
1.441-1.443
【Flash Point】
67℃
【Solubilities】
Slightly soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
【Computed Properties】
Molecular Weight:134.60394 [g/mol]
Molecular Formula:C6H11ClO
XLogP3-AA:2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:134.049843
MonoIsotopic Mass:134.049843
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Formal Charge:0
Complexity:91.2
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
Feature 3D Hydrophobe Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:8

Safety and Handling

【Hazard Codes】
T+:Verytoxic;
【Risk Statements】
R22;R24;R26;R36/37/38
【Safety Statements 】
S28;S36/37/39;S38;S45
【HazardClass】
6.1
【Safety】

Hazard Codes: ToxicT, VeryT+, IrritantXi 
Risk Statements: 22-23-36/37/38-26-24 
R22:Harmful if swallowed. 
R23 :Toxic by inhalation. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R26:Very toxic by inhalation. 
R34:Causes burns. 
Safety Statements: 26-36-45-38-36/37/39-28A 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S38:In case of insufficient ventilation, wear suitable respiratory equipment. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
RIDADR: UN 2810 
WGK Germany: 3
RTECS: EL7078000
HazardClass: 6.1 
PackingGroup: III

【PackingGroup 】
III
【Transport】
UN 2810
【Specification】

  1-Chloro-3,3-dimethylbutan-2-one (CAS NO.13547-70-1) is also maned as 1-Chloro-3,3-dimethyl-2-butanone ; 1-Chloropinacolone ; 1-Monochloropinacoline ; Chloromethyl tert-butyl ketone ; Chlorpinakolin ; alpha-Chloropinacolin ; alpha-Chloropinacoline ; tert-Butyl chloromethyl ketone . 1-Chloro-3,3-dimethylbutan-2-one (CAS NO.13547-70-1) clear slightly yellow liquid.

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