CAS No.113003-49-9,ALPHA-CHLORO-9-ANTHRALDOXIME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113003-49-9
Name:	ALPHA-CHLORO-9-ANTHRALDOXIME
Article Data:	5

Formula:	C₁₅H₁₀ClNO
Molecular Weight:	255.7
Synonyms:	ALPHA-CHLORO-9-ANTHRALDOXIME;-Chloro-9-anthraldoxime;A-CHLORO-9-ANTHRALDOXIME
Density:	1.27 g/cm³
Boiling Point:	483.6 °C at 760 mmHg
Flash Point:	246.3 °C
PSA:	32.59000
LogP:	4.36760

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Specification

The α-Chloro-9-anthraldoxime, with the CAS registry number of 113003-49-9, is also known as 9-Anthracenecarboximidoyl chloride, N-hydroxy-. This chemical's molecular formula is C₁₅H₁₀ClNO and molecular weight is 255.7. What's more, its systematic name is called N-Hydroxyanthracene-9-carboximidoyl chloride.

Physical properties aboutα-Chloro-9-anthraldoxime are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4679.21; (6)ACD/BCF (pH 7.4): 4675.6; (7)ACD/KOC (pH 5.5): 14746.93; (8)ACD/KOC (pH 7.4): 14735.55; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 72.53 cm³; (15)Molar Volume: 199.8 cm³; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.27 g/cm³; (18)Flash Point: 246.3 °C; (19)Enthalpy of Vaporization: 78.87 kJ/mol; (20)Boiling Point: 483.6 °C at 760 mmHg; (21)Vapour Pressure: 3.64E-10 mmHg at 25 °C.

Uses of α-Chloro-9-anthraldoxime: it is used to produce other chemicals. For example, it is used to produce C₂₉H₂₉NO₁₀S at ambient temperature. The reaction needs reagent NEt₃. Meanwhile, it needs solvents Diethyl ether and CH₂Cl₂. The reaction time is 1 hour. The yield is about 96 %.

α-Chloro-9-anthraldoxime can react with tetra-O-Acetyl-b-D-1-thio-glucopyranose to get C29H29NO10S.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C(=N\O)c2c3c(cc1c2cccc1)cccc3
(2) InChI: InChI=1/C15H10ClNO/c16-15(17-18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,18H/b17-15+
(3) InChIKey: HNCKUONLZVGZKH-BMRADRMJBT