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N,N-Dimethyl-N-(3-chlorophenyl)guanidine

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Name

N,N-Dimethyl-N-(3-chlorophenyl)guanidine

EINECS 206-114-9
CAS No. 13636-32-3 Density 1.17 g/cm3
PSA 39.12000 LogP 2.42100
Solubility N/A Melting Point N/A
Formula C9H12ClN3 Boiling Point 315.2 °C at 760 mmHg
Molecular Weight 197.667 Flash Point 144.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13636-32-3 (N,N-Dimethyl-N-(3-chlorophenyl)guanidine) Hazard Symbols N/A
Synonyms

N,N-Dimethyl-N'-(3-chlorophenyl)guanidine;N,N-Dimethyl-N'-(m-chlorophenyl)guanidine;N'-(m-Chlorophenyl)-N,N-dimethylguanidine;Guanidine,N'-(3-chlorophenyl)-N,N-dimethyl-;

 

N,N-Dimethyl-N-(3-chlorophenyl)guanidine Specification

The N, N-Dimethyl-N-(3-chlorophenyl)guanidine, with the CAS registry number 13636-32-3, is also known as Guanidine, N'-(3-chlorophenyl)-N, N-dimethyl-. This chemical's molecular formula is C9H12ClN3 and molecular weight is 197.66. What's more, its IUPAC name is 2-(3-Chlorophenyl)-1, 1-dimethylguanidine. In addition, this chemical's classification codes are Agricultural Chemical; Fungicide, Bactericide, Wood Preservative.

Physical properties about N, N-Dimethyl-N-(3-chlorophenyl)guanidine are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.92; (8)ACD/KOC (pH 7.4): 6.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.84 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 54.62 cm3; (15)Molar Volume: 168.7 cm3; (16)Polarizability: 21.65×10-24 cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 315.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000443 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(N(/C(=N/C)N)C)ccc1
(2) InChI: InChI=1/C9H12ClN3/c1-12-9(11)13(2)8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H2,11,12)
(3) InChIKey: HYFCECMVLXFRFV-UHFFFAOYAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 160mg/kg (160mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(11), Pg. 56, 1983.
rat LCLo inhalation 223mg/m3/4H (223mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(11), Pg. 56, 1983.
rat LD50 oral 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(11), Pg. 56, 1983.

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