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121-59-5

Basic Information
CAS No.: 121-59-5
Name: CARBARSONE
Article Data: 4
Molecular Structure:
Molecular Structure of 121-59-5 (CARBARSONE)
Formula: C7H9 As N2 O4
Molecular Weight: 260.081
Synonyms: Arsanilicacid, N-carbamoyl- (7CI,8CI); Carbarsone (6CI); 4-Carbamylaminophenylarsonicacid; 4-Ureidobenzenearsonic acid; 4-Ureidophenylarsonic acid; Amabevan;Ameban; Amebarsene; Amebarsone; Amibiarson; Aminarson; Aminarsone; Aminoarson;Arsambide; Carb-O-Sep; Carbarson; Fenarsone; Histocarb; Kutan; Leucarsone;N-Carbamoylarsanilic acid; N-Carbamylarsanilic acid; NSC 32868; Pentarsone;p-Arsonophenylurea; p-Carbamidobenzenearsonic acid; p-Ureidobenzenearsonic acid
Density: g/cm3
Melting Point: 174°
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion. Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. See also ARSENIC COMPOUNDS. When heated to decomposition it emits very toxic fumes of As and NOx.
PSA: 112.65000
LogP: -0.48850
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Chemistry

IUPAC Name: [4-(carbamoylamino)phenyl]arsonic acid 
Empirical Formula: C7H9AsN2O4
Molecular Weight: 260.079 
EINECS: 204-484-6
H-Bond Donor: 4
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 259.977828
MonoIsotopic Mass: 259.977828
Topological Polar Surface Area: 113
Heavy Atom Count: 14
Formal Charge: 0
Complexity: 256
Canonical SMILES: C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O
InChI: InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)
InChIKey: WWXBHTZSYYGCSG-UHFFFAOYSA-N
Structure of N-Carbamoylarsanilic acid (CAS NO.121-59-5):

Toxicity Data With Reference

1.    

orl-rat LD50:510 mg/kg

    MEIEDD    Merck Index. 10 (1983),246.
2.    

ipr-rat LDLo:1000 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 80 (1944),393.
3.    

orl-cat LDLo:250 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 29 (1931),125.
4.    

orl-rbt LDLo:200 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 29 (1931),125.
5.    

orl-gpg LDLo:200 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 29 (1931),125.

Consensus Reports

Arsenic and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by ingestion. Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. See also ARSENIC COMPOUNDS. When heated to decomposition it emits very toxic fumes of As and NOx.

Standards and Recommendations

OSHA PEL: TWA 0.5 mg(As)/m3
ACGIH TLV: BEI: 35 µ (As)/L inorganic arsenic and methylated metabolites in urine

Specification

  N-Carbamoylarsanilic acid , its cas register number is 121-59-5. It also can be called (4-((Aminocarbonyl)amino)phenyl)arsonic acid ; 4-Carbamylaminophenylarsonic acid ; 4-Ureidophenylarsonic acid ; AI3-17288 ; Amabevan ; Arsambide ;
 Arsonic acid, (4-((aminocarbonyl)amino)phenyl)- ; BRN 2940926 ; Benzenearsonic acid, p-ureido- ; Carb-O-Sep ;
 Carbaminophenyl-p-arsonic acid ; Carbarson ; EINECS 204-484-6 ; Fenarsone ; Histocarb ;

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