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| CAS No.: | 53609-64-6 |
|---|---|
| Name: | DIISOPROPANOLNITROSAMINE |
| Molecular Structure: | |
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|
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| Formula: | C6H14 N2 O3 |
| Molecular Weight: | 162.189 |
| Synonyms: | 2,2'-Dihydroxydipropylnitrosamine;DHPN; Di(2-hydroxypropyl)nitrosamine; Diisopropanolnitrosamine;N-Bis(2-hydroxypropyl)nitrosamine; N-Nitrosobis(2-hydroxypropyl)amine;N-Nitrosodiisopropanolamine; Nitrosobis(2-hydroxypropyl)amine |
| Density: | 1.2g/cm3 |
| Boiling Point: | 352.4°C at 760 mmHg |
| Flash Point: | 166.9°C |
| Risk Codes: | R45 |
| Safety: | Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. Moderately toxic by subcutaneous route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES. |
| PSA: | 73.13000 |
| LogP: | -0.26860 |
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Chemistry
Product Name: Diisopropanolnitrosamine (CAS NO.53609-64-6)
Molecular Formula: C6H14N2O3
Molecular Weight: 162.19g/mol
Mol File: 53609-64-6.mol
Boiling point: 352.4 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 166.9 °C
Density: 1.2 g/cm3
Surface Tension: 41.5 dyne/cm
Enthalpy of Vaporization: 69.15 kJ/mol
Vapour Pressure: 2.26E-06 mmHg at 25°C
XLogP3-AA: -0.3
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Diisopropanolnitrosamine (CAS NO.53609-64-6):
IUPAC Name: N,N-bis(2-hydroxypropyl)nitrous amide
Canonical SMILES: CC(CN(CC(C)O)N=O)O
InChI: InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKey: MNIGYIKCFSPQRJ-UHFFFAOYSA-N
Product Categories: Aliphatics; Nitric Oxide Reagents
Uses
Diisopropanolnitrosamine (CAS NO.53609-64-6) shows carcinogenicity in the duct cells.
Toxicity Data With Reference
| 1. | mma-sat 250 µg/plate | MUREAV Mutation Research. 111 (1983),135. | ||
| 2. | otr-hmn:oth 5 mg/L | BANRDU Banbury Report. 12 (1982),15. | ||
| 3. | dns-rat:lvr 5 mmol/L | MUREAV Mutation Research. 144 (1985),197. | ||
| 4. | msc-ham:lng 700 µmol/L | CNREA8 Cancer Research. 40 (1980),3463. | ||
| 5. | scu-ham TDLo:100 mg/kg (14D post):NEO,TER | ZEKBAI Zeitschrift fuer Krebsforschung. 90 (1977),119. | ||
| 6. | scu-rat LD50:5000 mg/kg | JJIND8 JNCI, Journal of the National Cancer Institute. 63 (1979),181. | ||
| 7. | scu-mus LD50:5160 mg/kg | CALEDQ Cancer Letters (Shannon, Ireland). 9 (1980),257. | ||
| 8. | scu-gpg LD50:4900 mg/kg | JNCIAM Journal of the National Cancer Institute. 58 (1977),387. |
Safety Profile
Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. Moderately toxic by subcutaneous route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
Safety Information of Diisopropanolnitrosamine (CAS NO.53609-64-6):
Hazard Codes: T
Risk Statements: 45
45: May cause cancer
Safety Statements: 53-23-36/37/39-45
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53: Avoid exposure - obtain special instruction before use
Specification
Diisopropanolnitrosamine ,its CAS NO. is 53609-64-6,the synonyms is 2,2'-Bishydroxypropylnitrosamine ; 2,2'-Dihydroxy-di-n-propylnitrosoamine ; 2-Propanol, 1,1'-nitrosoiminodi- ; 2-Propanol, N-nitroso-1,1'-iminodi- ; Di(2-hydroxypropyl)nitrosamine ; N,N-Di-(2-hydroxypropyl)nitrosamine ; N-Bis(2-hydroxypropyl)nitrosamine ; N-Nitroso-N,N-di(2-hydroxypropyl)amine ; N-Nitrosobis(2-hydroxyproply)amine ; N-Nitrosodiisopropanolamine ; 2-Propanol, 1,1'-(nitrosoimino)bis- (9CI) ; Dipropylamine, 2,2'-dihydroxy-N-nitroso- .