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Home > Encyclopedia > 4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID

4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID

4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID structure

4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID 

structure
  • CAS No:

    84098-73-7

  • Formula:

    C11H11ClO3

  • Chemical Name:

    4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID

  • Synonyms:

    TIMTEC-BB SBB003311;4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID;Benzeneacetic acid, 4-(2-chloro-1-oxopropyl)- (9CI)

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-(2-CHLOROPROPIONYL)PHENYLACETIC ACID Basic Attributes

226.66

226.04000

DTXSID30405342

Characteristics

54.4

2.12370

1.282g/cm3

141-145 °C

399.2ºC at 760 mmHg

195.2ºC

1.556

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:226.65
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:226.0396719
Monoisotopic Mass:226.0396719
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:244
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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