Product Name

  • Name

    DEHYDRORETRONECINE

  • EINECS
  • CAS No. 23107-12-2
  • Article Data5
  • CAS DataBase
  • Density 1.39g/cm3
  • Solubility
  • Melting Point
  • Formula C8H11 N O2
  • Boiling Point 361.2°Cat760mmHg
  • Molecular Weight 153.20
  • Flash Point 172.3°C
  • Transport Information
  • Appearance
  • Safety Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Poison by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 23107-12-2 (DEHYDRORETRONECINE)
  • Hazard Symbols
  • Synonyms 1H-Pyrrolizine-7-methanol,2,3-dihydro-1-hydroxy-, (R)-; Retronecine, 3,8-didehydro- (8CI); Dehydroretronecine;Retronecine pyrrole
  • PSA 45.39000
  • LogP 0.41750

Dehydroretronecine Chemical Properties

Product Name: Dehydroretronecine (CAS NO.23107-12-2)


Molecular Formula: C8H11NO2
Molecular Weight: 153.20g/mol
Mol File: 23107-12-2.mol
Boiling point: 361.2 °C at 760 mmHg
Flash Point: 172.3 °C
Density: 1.39 g/cm3
Surface Tension: 55.5 dyne/cm
Enthalpy of Vaporization: 64.05 kJ/mol
Vapour Pressure: 7.54E-06 mmHg at 25°C
XLogP3-AA: -1
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of Dehydroretronecine (CAS NO.23107-12-2):
  IUPAC Name: (1R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol
  Canonical SMILES: C1CN2C=CC(=C2C1O)CO
  Isomeric SMILES: C1CN2C=CC(=C2[C@@H]1O)CO
  InChI: InChI=1S/C8H11NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,7,10-11H,2,
4-5H2/t7-/m1/s1 
  InChIKey: QFPRRXUPCPFWKD-SSDOTTSWSA-N

Dehydroretronecine Toxicity Data With Reference

1.    

mmo-sat 500 µg/plate

     MUREAV    Mutation Research. 149 (1985),485.
2.    

sce-hmn:lym 1 µmol/L

     MUREAV    Mutation Research. 149 (1985),485.
3.    

dni-rat:lvr 100 µmol/L

     CBINA8    Chemico-Biological Interactions. 30 (1980),325.
4.    

oms-rat:lvr 20 µmol/L

     CBINA8    Chemico-Biological Interactions. 30 (1980),325.
5.    

otr-ham:kdy 250 µg/L

     CRNGDP    Carcinogenesis. 1 (1980),161.
6.    

ipr-rat LD50:122 mg/kg

     CBINA8    Chemico-Biological Interactions. 12 (1976),299.

Dehydroretronecine Consensus Reports

IARC Cancer Review: Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 10 (1976),p. 333.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Dehydroretronecine Safety Profile

Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Poison by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Dehydroretronecine Specification

 Dehydroretronecine ,its CAS NO. is 23107-12-2,the synonyms is 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-, (R)- ; CCRIS 1862 ; Retronecine, 3,8-didehydro- ; Retronecine pyrrole .

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