(2-Chlorophenyl)acetic acid
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(2-Chlorophenyl)acetic acid
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CAS No:
2444-36-2
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Formula:
C8H7ClO2
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Chemical Name:
(2-Chlorophenyl)acetic acid
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Synonyms:
Benzeneacetic acid,2-chloro-;Acetic acid,(o-chlorophenyl)-;2-Chlorobenzeneacetic acid;(2-Chlorophenyl)acetic acid;(o-Chlorophenyl)acetic acid;2-(o-Chlorophenyl)ethanoic acid;NSC 4613;o-Chlorobenzeneacetic acid
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CAS No:
Description
The molecular formula of (2-Chlorophenyl)acetic acid is C8H7ClO2, white to light yellow powder. Its molecular weight is 170.59, density is 1.324 g/cm3, melting point is 92-95 °C, boiling point is 145°C 5mmHg, flash point is 145°C/5mm.
(2-Chlorophenyl)acetic acid Basic Attributes
170.59
170.59
219-482-0
7BF49L8BR5
4613
DTXSID50179194
2916399090
Characteristics
37.3
2
White to light yellow powder
1.3±0.1 g/cm3
93-94 °C
294.1°C at 760 mmHg
131.7±20.4 °C
1.570
0.000751mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36/37
Xi:Irritant
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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(2-Chlorophenyl)acetic acid Use and Manufacturing
(2-Chlorophenyl)acetic acid is an intermediate of diclofenac and is also used in the synthesis of diclofenac, a highly effective anti-inflammatory drug.
Computed Properties
Molecular Weight:170.59
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:170.0134572
Monoisotopic Mass:170.0134572
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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