CAS No.100224-74-6,Guanidine carbonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100224-74-6
Name:	Guanidine carbonate
Article Data:	1

Formula:	C₂H₇N₃O₃
Molecular Weight:	121.096
Synonyms:	Guanidinium carbonate;guanidine bicarbonate;guanidinium hydrogen carbonate;
EINECS:	209-813-7
Melting Point:	271-272℃
Boiling Point:	132.9 °C at 760 mmHg
Flash Point:	34.2 °C
Solubility:	450 g/L (20℃)
Hazard Symbols:	R22:;
Risk Codes:	Xn:Harmful; "> Xn:Harmful;
PSA:	133.42000
LogP:	0.56130

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Specification

The Guanidine; carbonate (1:1), with the CAS registry number 100224-74-6, is also known as Carbonic acid, compd. with guanidine (1:1). This chemical's molecular formula is C₂H₇N₃O₃ and molecular weight is 121.10. What's more, its systematic name is Carbonic acid - guanidine (1:1).

Physical properties about Guanidine; carbonate (1:1) are: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 18.84 Å²; (11)Flash Point: 34.2 °C; (12)Enthalpy of Vaporization: 37.04 kJ/mol; (13)Boiling Point: 132.9 °C at 760 mmHg; (14)Vapour Pressure: 8.67 mmHg at 25 °C.

Uses of Guanidine; carbonate (1:1): it is used to produce other chemicals. For example, it is used to produce 5-Chloro-quinazoline-2, 4-diamine. The reaction needs solvent N, N-Dimethyl-acetamide. The reaction time is 7 hours with reaction temperature of 140-142 °C. The yield is about 92 %.

The Guanidine; carbonate (1:1) can react with 2-Chloro-6-fluorobenzonitrile to get 5-Chloro-quinazoline-2, 4-diamine.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)O.[N@H]=C(N)N
(2) InChI: InChI=1/CH5N3.CH2O3/c2*2-1(3)4/h(H5,2,3,4);(H2,2,3,4)
(3) InChIKey: KMSRVXJGTIRNNK-UHFFFAOYAB