(R)-(+)-4-CHLOROMANDELONITRILE
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(R)-(+)-4-CHLOROMANDELONITRILE
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CAS No:
97070-79-6
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Formula:
C8H6ClNO
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Chemical Name:
(R)-(+)-4-CHLOROMANDELONITRILE
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Synonyms:
(R)-(+)-4-CHLOROMANDELONITRILE;(2R)-2-(4-chlorophenyl)-2-hydroxyacetonitrile;Benzeneacetonitrile, 4-chloro-α-hydroxy-, (αR)-
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CAS No:
Characteristics
44.02000
1.89698
1.331±0.06 g/cm3
70-74 °C (lit.)
324.2±27.0 °C(Predicted)
149.8ºC
1.585
10.30±0.20
Safety Information
3
20/21/22
36
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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:167.59
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.0137915
Monoisotopic Mass:167.0137915
Topological Polar Surface Area:44
Heavy Atom Count:11
Complexity:166
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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