CAS No.19932-84-4,6-CHLORO-1,3-BENZOXAZOL-2(3H)-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	19932-84-4
Name:	6-CHLORO-1,3-BENZOXAZOL-2(3H)-ONE
Article Data:	2

Formula:	C₇H₄ClNO₂
Molecular Weight:	169.567
Synonyms:	2-Benzoxazolinone,6-chloro- (6CI,8CI);6-Chloro-2(3H)-benzoxazolone;6-Chloro-2,3-dihydrobenzoxazol-2-one;6-Chloro-2-benzoxazolinone;6-Chloro-2-benzoxazolone;6-Chloro-3H-benzoxazol-2-one;6-Chlorobenzo[d]oxazol-2(3H)-one;6-Chlorobenzoxazolinone;6-Chlorobenzoxazolone;6-Chlorobenzoxazolone-2;HOE 54014;NSC 26191;NSC664284;
Density:	1.487 g/cm³
Melting Point:	192 °C
Appearance:	light beige crystalline powder
Hazard Symbols:	Xn,Xi
Risk Codes:	36/37/38-22
Safety:	26-36-26/36/37/39-22
PSA:	46.00000
LogP:	1.77450

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Specification

The CAS register number of 2(3H)-Benzoxazolone,6-chloro- is 19932-84-4. It also can be called as 6-Chlorobenzoxazolone and the IUPAC name about this chemical is 6-chloro-3H-1,3-benzoxazol-2-one. The molecular formula about this chemical is C₇H₄ClNO₂ and the molecular weight is 169.57. It belongs to the following product categories which include Oxazole & Isoxazole; AmidesAnalytical Standards; EstersMore...Close...; Alpha Sort; Analytical Standards; AromaticsVolatiles/ Semivolatiles; C; CAlphabetic; CHChemical Class; Chemical Class; ChloroAnalytical Standards; Halogenated and so on.

Physical properties about 2(3H)-Benzoxazolone,6-chloro- are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 16.01; (5)ACD/BCF (pH 7.4): 14.41; (6)ACD/KOC (pH 5.5): 253.22; (7)ACD/KOC (pH 7.4): 227.93; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 29.54Å²; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 39.18 cm³; (13)Molar Volume: 114 cm³; (14)Polarizability: 15.53x10^-24cm³; (15)Surface Tension: 50 dyne/cm.

Preparation: this chemical can be prepared by 3H-benzooxazol-2-one. This reaction will need reagent chlorine.

Uses of 2(3H)-Benzoxazolone,6-chloro-: it can be used to produce 6-chloro-3-(1-methyl-2-oxo-propyl)-3H-benzooxazol-2-one. This reaction will need reagent sodium ethoxide and solvent ethanol with reaction time of 3 hours. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, please do not breathe dust. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1c(OC(=O)N1)c2
(2)InChI: InChI=1/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
(3)InChIKey: MATCZHXABVLZIE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
(5)Std. InChIKey: MATCZHXABVLZIE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LC50	inhalation	11440mg/m3 (11440mg/m3)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 36, 1987.
mouse	LD50	intraperitoneal	435mg/kg (435mg/kg)		Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 340, 1964.
mouse	LD50	oral	850mg/kg (850mg/kg)		Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 340, 1964.
rat	LD50	oral	1200mg/kg (1200mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 36, 1987.