Name: 6-AMINO-1,3-BENZOXAZOL-2(3H)-ONE
SKU: 22876-17-1

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Basic Information

Molecular Structure:
CAS No.:	22876-17-1
Name:	6-AMINO-1,3-BENZOXAZOL-2(3H)-ONE
Article Data:	24

Formula:	C₇H₆N₂O₂
Molecular Weight:	150.137
Synonyms:	2-Benzoxazolinone,6-amino- (6CI,8CI);6-Amino-1,3-benzoxazol-2(3H)-one;6-Amino-2-benzoxazolone;6-Amino-3H-benzoxazol-2-one;6-Aminobenzo[d]oxazol-2(3H)-one;6-Aminobenzoxazolin-2-one;6-Aminobenzoxazolone;
Density:	1.438 g/cm³
Melting Point:	205°C(lit.)
Boiling Point:	299oC at 760mmHg
Flash Point:	134.6oC
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	72.02000
LogP:	1.28450

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Specification

The CAS register number of 2(3H)-benzoxazolone, 6-amino- is 22876-17-1. It also can be called as 6-Amino-1,3-benzoxazol-2(3H)-one and the systematic name about this chemical is 6-amino-1,3-benzoxazol-2(3H)-one. The molecular formula about this chemical is C₇H₆N₂O₂ and the molecular weight is 150.13. It belongs to the Amineprimary.

Physical properties about 2(3H)-benzoxazolone, 6-amino- are: (1)ACD/LogP: -0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.86; (5)ACD/KOC (pH 7.4): 19.9; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 32.78Å²; (10)Index of Refraction: 1.659; (11)Molar Refractivity: 38.52 cm³; (12)Molar Volume: 104.3 cm³; (13)Polarizability: 15.27x10^-24cm³; (14)Surface Tension: 63 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Oc1cc(ccc1N2)N
(2)InChI: InChI=1/C7H6N2O2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
(3)InChIKey: STLPJYGZOIEDAJ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H6N2O2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
(5)Std. InChIKey: STLPJYGZOIEDAJ-UHFFFAOYSA-N