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94-87-1

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Basic Information
CAS No.: 94-87-1
Name: 2-(o-chloroanilino)ethanol
Article Data: 12
Molecular Structure:
Molecular Structure of 94-87-1 (2-(o-chloroanilino)ethanol)
Formula: C8H10 Cl N O
Molecular Weight: 171.626
Synonyms: Ethanol,2-(o-chloroanilino)- (6CI,7CI,8CI); 2-(2-Chlorophenylamino)ethanol;2-(o-Chloroanilino)ethanol; 2-Chloro-N-(2-hydroxyethyl)aniline; 2-Chloro-N-(b-hydroxyethyl)aniline; NSC 510554
Density: 1.272g/cm3
Boiling Point: 318.1°Cat760mmHg
Flash Point: 146.2°C
Safety: Potentially explosive decomposition above 210°C, catalyzed by the presence of mild steel. This reaction has caused a violent explosion during an industrial scale distillation. Upon decomposition it emits toxic fumes of Cl−, HCl, and NOx. Decomposition also produces primary amines, ethylene, methane, carbon monoxide, and carbon dioxide. See also ANILINE DYES.
PSA: 32.26000
LogP: 1.81720
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Chemistry

Molecular Structure of 2-Chloro-N,N-diallylacetamide (CAS NO.94-87-1):

EINECS: 202-371-6
IUPAC Name: 2-(2-Chloroanilino)ethanol 
Molecular Formula: C8H10ClNO
Molecular Weight: 171.624100 g/mol
XLogP3: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: C1=CC=C(C(=C1)NCCO)Cl
InChI: InChI=1S/C8H10ClNO/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6H2
InChIKey: IAULHYVZSIFNPB-UHFFFAOYSA-N
Index of Refraction: 1.612
Molar Refractivity: 46.92 cm3
Molar Volume: 134.8 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.272 g/cm3
Flash Point: 146.2 °C
Enthalpy of Vaporization: 59.08 kJ/mol
Boiling Point: 318.1 °C at 760 mmHg
Vapour Pressure: 0.000154 mmHg at 25 °C
Water Solubility of 2-Chloro-N,N-diallylacetamide (CAS NO.94-87-1): 4742 mg/L at 25 °C

Safety Profile

Potentially explosive decomposition above 210°C, catalyzed by the presence of mild steel. This reaction has caused a violent explosion during an industrial scale distillation. Upon decomposition it emits toxic fumes of Cl−, HCl, and NOx. Decomposition also produces primary amines, ethylene, methane, carbon monoxide, and carbon dioxide. See also ANILINE DYES.

Specification

  2-Chloro-N-(2-hydroxyethyl)aniline with CAS registry number of 94-87-1 is known as 2-(o-Chloroanilino)ethanol ; NSC 510554 ; Ethanol, 2-((2-chlorophenyl)amino)- ; Ethanol, 2-(o-chloroanilino)- (8CI) .