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8027-85-8

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Basic Information
CAS No.: 8027-85-8
Name: Ureabor
Molecular Structure:
Molecular Structure of 8027-85-8 (Ureabor)
Formula: C9H18BCl2N2NaO7
Molecular Weight: 370.96
Synonyms: sodium; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; oxido-oxo-borane; tetrahydrate;
Boiling Point: 385.2 °C at 760 mmHg
Flash Point: 186.7 °C
PSA: 112.88000
LogP: 1.95720
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Specification

The Ureabor has the CAS registry number 8027-85-8. This chemical's molecular formula is C9H18BCl2N2NaO7 and molecular weight is 370.96. What's more, its systematic name is sodium; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; oxido-oxo-borane; tetrahydrate. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide.

Physical properties of Ureabor are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 23.55 Å2; (7)Flash Point: 186.7 °C; (8)Enthalpy of Vaporization: 63.39 kJ/mol; (9)Boiling Point: 385.2 °C at 760 mmHg; (10)Vapour Pressure: 3.88E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].Clc1ccc(NC(=O)N(C)C)cc1Cl.[O-]B=O.O.O.O.O
(2)InChI: InChI=1S/C9H10Cl2N2O.BO2.Na.4H2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6;2-1-3;;;;;/h3-5H,1-2H3,(H,12,14);;;4*1H2/q;-1;+1;;;;
(3)InChIKey: BTSJNSWDGOPOFW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C318, 1991.
rat LD50 oral 2710mg/kg (2710mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C318, 1991.