Product Name

Stability

    Stable. Incompatible with strong oxidizing agents.

Toxicology

    May be harmful if swallowed or inhaled, or through skin contact.

    Toxicity data
    (

  • Melting Point 260 - 263 C
  • Formula C11H9 Br O4 . Na
  • Boiling Point 417.9°Cat760mmHg
  • Molecular Weight 307.09
  • Flash Point 206.5°C
  • Transport Information
  • Appearance white powder
  • Safety Poison by intraperitoneal, subcutaneous, and intravenous routes. Questionable carcinogen with experimental carcinogenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NaO2 and Br−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 21739-91-3 (Sodium)
  • Hazard Symbols
  • Synonyms 2-Butenoicacid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (2E)- (9CI); 2-Butenoicacid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (E)-; Acrylic acid,3-p-anisoyl-3-bromo-, sodium salt, (E)- (8CI); Bromebric acid sodium salt;Cytembena; NSC 104801; Sodium (E)-b-4-methoxybenzoyl-b-bromacrylate
  • PSA 66.43000
  • LogP 0.90660

Cytembena Chemical Properties

Product Name: Cytembena (CAS NO.21739-91-3)


Molecular Formula: C11H8BrO4•Na
Molecular Weight: 307.09g/mol
Mol File: 21739-91-3.mol
Appearance: White to off-white powder
Boiling point: 417.9 °C at 760 mmHg
Flash Point: 206.5 °C
Density: 1.59g/cm3
Water Solubility: Water soluble
Enthalpy of Vaporization: 70.78 kJ/mol
Vapour Pressure: 9.92E-08 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Cytembena (CAS NO.21739-91-3):
  IUPAC Name: sodium (E)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoate
  Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+]
  Isomeric SMILES: COC1=CC=C(C=C1)C(=O)/C(=C\C(=O)[O-])/Br.[Na+]
  InChI: InChI=1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+; 
  InChIKey: DVDCIQWIGOVWEX-MLBSPLJJSA-M

Cytembena Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

     SCIEAS    Science. 236 (1987),933.
2.    

msc-mus:lyms 25 mg/L

     SCIEAS    Science. 236 (1987),933.
3.    

ipr-rat LD:14 mg/kg/2Y-I:CAR,REP

     NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-207 ,1981.
4.    

ipr-rat TDLo:7 mg/kg/2Y-I:CAR,REP

     NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-207 ,1981.
5.    

ipr-rat LD50:155 mg/kg

     CKFRAY    Ceskoslovenska Farmacie. 29 (1980),106.
6.    

scu-rat LD50:155 mg/kg

     CKFRAY    Ceskoslovenska Farmacie. 29 (1980),106.
7.    

ivn-rat LD50:245 mg/kg

     CKFRAY    Ceskoslovenska Farmacie. 29 (1980),106.
8.    

ipr-mus LD50:50 mg/kg

     CKFRAY    Ceskoslovenska Farmacie. 29 (1980),106.
9.    

scu-mus LD50:52 mg/kg

     CKFRAY    Ceskoslovenska Farmacie. 29 (1980),106.
10.    

ivn-mus LD50:98 mg/kg

     CKFRAY    Ceskoslovenska Farmacie. 29 (1980),106.

Cytembena Consensus Reports

NTP Carcinogenesis Bioassay (ipr): Clear Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-207 ,1981. ; NTP Carcinogenesis Bioassay (ipr): No Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-207 ,1981.

Cytembena Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. Questionable carcinogen with experimental carcinogenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NaO2 and Br−.

Cytembena Specification

 Cytembena ,its CAS NO. is 21739-91-3,the synonyms is (E)-3-p-Anisoyl-3-bromoacrylic acid sodium salt ; 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (E)- ; Acrylic acid, 3-p-anisoyl-3-bromo-, sodium salt, (E)- ; Bromebric acid, sodium salt, (E)-isomer ; CCRIS 189 ; HSDB 4134 ; NCI-C50737 ; Sodium (E)-beta-4-methoxybenzoyl-beta-bromoacrylate ; Sodna sul kyseliny cis-beta-4-methoxybenzoyl-beta-bromakrylove .

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