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Home > Encyclopedia > 1,1,3-Trichloroacetone

1,1,3-Trichloroacetone

1,1,3-Trichloroacetone structure

1,1,3-Trichloroacetone 

structure
  • CAS No:

    921-03-9

  • Formula:

    C3H3Cl3O

  • Chemical Name:

    1,1,3-Trichloroacetone

  • Synonyms:

    2-Propanone,1,1,3-trichloro-;1,1,3-Trichloro-2-propanone;α,α′,α′-Trichloroacetone;1,1,3-Trichloroacetone;1,1,2-Trichloroacetone

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Light yellow transparent liquid

1,1,3-Trichloroacetone Basic Attributes

161.41400

161.41

213-063-6

8N0B05BDRQ

DTXSID4021680

2914700090

Characteristics

17.07000

1.59800

1.512

9-11ºC(lit.)

172 °C

79ºC

n20/D 1.491

mmo-sat 50 mL/plate ENMUDM 7,163,85

Safety Information

III

6.1(b)

UN 3390

3

R25; R26; R34; R50/53

S26; S36/37/39; S45; S60; S61

UC3840000

T+; N

P260-P273-P280-P284-P301 + P310-P305 + P351 + P338

H301 + H311-H314-H330-H410

|Danger|H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P330, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1,1,3-trichloroacetone

1,1,3-Trichloroacetone Use and Manufacturing

It is used in organic synthesis, anti-anemia drug-folic acid (vitamin Bc) raw materials, pesticides, preparation of drugs, spices and dyes.

Computed Properties

Molecular Weight:161.41
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:159.924948
Monoisotopic Mass:159.924948
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:70.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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