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Name |
4-Hydroxybutylbutylnitrosamine |
EINECS | 625-015-5 |
CAS No. | 3817-11-6 | Density | 1.02g/cm3 |
PSA | 52.90000 | LogP | 1.54240 |
Solubility | moderate | Melting Point |
N/A |
Formula | C8H18 N2 O2 | Boiling Point | 320.2°Cat760mmHg |
Molecular Weight | 174.243 | Flash Point | 147.5°C |
Transport Information | N/A | Appearance | red liquid |
Safety | Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | 45-22 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
1-Butanol,4-(butylnitrosamino)- (7CI,8CI); 4-Hydroxybutylbutylnitrosamine; BBN;Butyl(4-hydroxybutyl)nitrosamine; Butylbutanolnitrosamine;N-Butyl-N-(1-hydroxybutyl)nitrosamine; N-Butyl-N-(4-hydroxybutyl)nitrosamine;N-Nitrosobutyl-4-hydroxybutylamine; N-Nitrosobutylbutan-4-olamine |
Article Data | 2 |
Product Name: 4-Hydroxybutylbutylnitrosamine (CAS NO.3817-11-6)
Molecular Formula: C8H18N2O2
Molecular Weight: 174.24g/mol
Mol File: 3817-11-6.mol
Appearance: Dark red liquid
Boiling point: 167 °C / 5mmHg
Storage Temperature: Refrigerator
Flash Point: 147.5 °C
Density: 1.02 g/cm3
Stability: Stability
Surface Tension: 37.1 dyne/cm
Enthalpy of Vaporization: 65.13 kJ/mol
Vapour Pressure: 2.62E-05 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Hydroxybutylbutylnitrosamine (CAS NO.3817-11-6):
IUPAC Name: N-butyl-N-(4-hydroxybutyl)nitrous amide
Canonical SMILES: CCCCN(CCCCO)N=O
InChI: InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
InChIKey: DIKPQFXYECAYPC-UHFFFAOYSA-N
1. | mma-sat 10 µmol/plate | MUREAV Mutation Research. 140 (1984),147. | ||
2. | sce-rat:lvr 1500 µmol/L | MUREAV Mutation Research. 93 (1982),409. | ||
3. | cyt-ham:lng 900 mg/L/27H | MUREAV Mutation Research. 66 (1979),277. | ||
4. | orl-rat LD50:1800 mg/kg | XENOBH Xenobiotica. 3 (1973),271. | ||
5. | scu-ham LD50:3 g/kg | CALEDQ Cancer Letters (Shannon, Ireland). 1 (1975),15. |
NTP 10th Report on Carcinogens. IARC Cancer Review: Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 17 , 1978,p. 51.(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) .
Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of 4-Hydroxybutylbutylnitrosamine (CAS NO.3817-11-6):
Hazard Codes: T
Risk Statements: 45-22
22: Harmful if swallowed
45: May cause cancer
Safety Statements: 53
53: Avoid exposure - obtain special instruction before use
RTECS: EL1225000
4-Hydroxybutylbutylnitrosamine , its CAS NO. is 3817-11-6, the synonyms are 4-(Butylnitrosamino)-1-butanol ; 4-(Butylnitrosoamino)butanol ; 4-(N-Butylnitrosamino)-1-butanol ; BBN ; BRN 2080574 ; Butanol (4)-butyl-nitrosamine ; Butyl-butanol(4)-nitrosamin ; Butyl-butanol-nitrosamine ; CCRIS 836 ; Dibutylamine, 4-hydroxy-N-nitroso- ; N-Butyl-(4-hydroxybutyl)nitrosamine ; N-Butyl-N-(4-hydroxybutyl)nitrosamine ; N-Nitroso-N-butyl-(4-hydroxybutyl)amine ; N-Nitrosobutylbutanolamine ; 1-Butanol, 4-(butylnitrosoamino)- .