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Basic Information
CAS No.: 2281-78-9
Name: 1-(4-chlorophenyl)sulfonyl-3-propan-2-yl-urea
Article Data: 5
Molecular Structure:
Molecular Structure of 2281-78-9 (1-(4-chlorophenyl)sulfonyl-3-propan-2-yl-urea)
Formula: C10H13 Cl N2 O3 S
Molecular Weight: 276.76
Synonyms: Urea,1-[(p-chlorophenyl)sulfonyl]-3-isopropyl- (6CI,7CI,8CI); Chlorisopropamide;N-(p-Chlorophenylsulfonyl)-N'-isopropylurea
Density: 1.331g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of SOx, NOx, and Cl−.
PSA: 87.14000
LogP: 3.41240
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Chemistry

IUPAC Name: 1-(4-Chlorophenyl)sulfonyl-3-propan-2-ylurea 
Empirical Formula: C10H13ClN2O3S 
Molecular Weight: 276.7398g/mol
XLogP3: 2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 276.033541
MonoIsotopic Mass: 276.033541
Topological Polar Surface Area :75.3
Heavy Atom Count: 17
Formal Charge: 0
Complexity: 356
Molar Volume: 207.8 cm3
Polarizability: 26.28×10-24cm3
Surface Tension: 45.7 dyne/cm
Density: 1.331 g/cm3
SMILES: O=S(=O)(c1ccc(Cl)cc1)NC(=O)NC(C)C
InChI: InChI=1/C10H13ClN2O3S/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKey: PDOVTZKFRPAFHJ-UHFFFAOYAS 
Structure of Chlorisopropamide (CAS NO.2281-78-9):

Toxicity Data With Reference

1.    

orl-rat TDLo:1 g/kg (female 10D post):TER

     PROEAS    Problemy Endokrinologii. 14 (1968),89.
2.    

ipr-mus LD50:153 mg/kg

     FRZKAP    Farmatsevtichnii Zhurnal (Kiev). (v/o Mezhdunarodnaya Kniga, Kuznetskii Most 18, Moscow G-200, USSR) V.3- 1930-(6),1987,26.

Safety Profile

Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of SOx, NOx, and Cl−.

Specification

  Chlorisopropamide , its cas register number is 2281-78-9. It also can be called  4-11-00-00119 (Beilstein Handbook Reference) and BRN 2742086 .When heated to decomposition it emits toxic fumes of SOx, NOx, and Cl−. The storage environment of Chlorisopropamide (CAS NO.2281-78-9) should be ventilate, low-temperature and dry.