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Home> Encyclopedia > Hot Product Listed 1   > 1,1,3-Trichloroacetone
615-16-7 structure

1,1,3-Trichloroacetone

CAS No.:615-16-7
Molecular Weight:134.13534
Molecular Formula:C12H22O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
Canonical Smiles
C1=CC=C2C(=C1)NC(=O)N2
Properties
Appearance
colorless liquid
Density
1.488
Melting Point
300℃
Boiling Point
448°C at 760 mmHg
Solubility
Very soluble in ethyl alcohol and ethyl ether
In water, 7.45X10+3 mg/L at 25 deg C (est)
HS Code
29339990
Spectral properties
Index of refraction: 1.4635 at 17 deg C/D
MASS: 34179 (NIST/EPA/MSDC Mass Spectral database, 1990 version); 526 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
UV: 7-7 (Phillip et al; Organic Electronic Spectral Data. John Wiley & Sons, New York)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
Octanol/Water Partition Coefficient
log Kow = 1.12 (est)
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:134.13534g/mol
  • Molecular Formula:C12H22O2
  • XLogP3-AA:1.1
  • Exact Mass:134.048013
  • Monoisotopic Mass:134.048013
  • Complexity:142
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:41.1
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
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  • Tel:86-312-18103315327
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