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Cas Database |
| Name |
Dehydroretronecine |
EINECS | N/A |
| CAS No. | 23107-12-2 | Density | 1.39g/cm3 |
| PSA | 45.39000 | LogP | 0.41750 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H11 N O2 | Boiling Point | 361.2°Cat760mmHg |
| Molecular Weight | 153.20 | Flash Point | 172.3°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Pyrrolizine-7-methanol,2,3-dihydro-1-hydroxy-, (R)-; Retronecine, 3,8-didehydro- (8CI); Dehydroretronecine;Retronecine pyrrole |
Article Data | 5 |
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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