-
Name
CHLORCYCLOHEXAMIDE
- EINECS
- CAS No. 963-03-1
- Article Data19
- CAS DataBase
- Density 1.37g/cm3
- Solubility
- Melting Point
- Formula C13H17ClN2O3S
- Boiling Point °Cat760mmHg
- Molecular Weight 316.809
- Flash Point °C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. Experimental teratogenic effects. When heated to decomposition it emits toxic fumes of SOx, NOx, and Cl−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Chlorcyclohexamide Chemical Properties
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-cyclohexylurea
Molecular Formula: C13H17ClN2O3S
Molecular Weight: 316.80368g/mol
XLogP3: 3.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 316.064841
MonoIsotopic Mass: 316.064841
Topological Polar Surface Area; 75.3
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 421
Index of Refraction: 1.595
Molar Refractivity: 78.16 cm3
Molar Volume: 229.8 cm3
Polarizability: 30.98×10-24cm3
Surface Tension: 56.7 dyne/cm
Density: 1.37 g/cm3
Canonical SMILES: C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKey: TYZHJGCYLYXPSB-UHFFFAOYSA-N
Structure of Chlorcyclohexamide (CAS NO.963-03-1):
.bmp)
Chlorcyclohexamide Toxicity Data With Reference
| 1. | orl-rat LD50:1525 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 25 (1962),93. | ||
| 2. | orl-mus LD50:1525 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 25 (1962),93. |
Chlorcyclohexamide Safety Profile
Moderately toxic by ingestion. Experimental teratogenic effects. When heated to decomposition it emits toxic fumes of SOx, NOx, and Cl−.
Chlorcyclohexamide Specification
Chlorcyclohexamide , its cas register number is 963-03-1. It also can be called 1-((p-Chlorophenyl)sulfonyl)-3-cyclohexylurea ; 4-12-00-00056 (Beilstein Handbook Reference) ; BRN 2221686 ;Benzenesulfonamide, 4-chloro-N-((cyclohexylamino)carbonyl)- ; Chlorhexamide ; Chlorocyclamide-R ; K 694 and Oradian .When Chlorcyclohexamide (CAS NO.963-03-1) is heated to decomposition, it emits toxic fumes of SOx, NOx, and Cl−.
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