Identification and Related Records
- 【Name】
- 2,2-Dibromo-2-nitroethanol
- 【Iupac name】
- 2,2-dibromo-2-nitroethanol
- 【Registry number】
- 69094-18-4 (CAS DataBase Reference)
- 【Synonyms】
-
2,2-Dibromo-2-nitro-1-ethanol
Dibnirol
Dibnirol A 75
N 60
N 60 (antimicrobial)
- 【EINECS(EC#)】
- 412-380-9
- 【Molecular Formula】
- C2H3Br2NO3 (Products with the same molecular formula)
- 【Molecular Weight】
- 248.87
- 【Inchi】
- InChI=1/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2
- 【Canonical SMILES】
- C(C([N+](=O)[O-])(Br)Br)O
69094-18-4.mol
Chemical and Physical Properties
- 【Density】
- 2.533 g/cm3
- 【Boiling Point】
- 244 °C at 760 mmHg
- 【Refractive Index】
- 1.615?
- 【Flash Point】
- 101.4 °C
- 【Computed Properties】
- Molecular Weight:248.85812 [g/mol]
Molecular Formula:C2H3Br2NO3
XLogP3-AA:0.9
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:248.845922
MonoIsotopic Mass:246.847968
Topological Polar Surface Area:66
Heavy Atom Count:8
Formal Charge:0
Complexity:97.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9
Safety and Handling
- 【Hazard Codes】
- C:Corrosive
- 【Risk Statements】
- R22;R35;R40;R43;R48;R50/53
- 【Safety Statements 】
- S1/2;S23;S26;S35;S36/37/39;S45;S60;S61
- 【Safety】
-
Safty information about 2,2-Dibromo-2-nitroethanol (CAS NO.69094-18-4) is:
Hazard Codes:?
E;?
C;?
N
Risk Statements: 22-35-40-43-48-50/53-48/22-2?
R22:Harmful if swallowed.?
R35:Causes severe burns.?
R40:Limited evidence of a carcinogenic effect.?
R43:May cause sensitization by skin contact.?
R48:Danger of serious damage to health by prolonged exposure.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R2:Risk of explosion by shock, friction, fire or other source of ignition.
Safety Statements: 1/2-23-26-35-36/37/39-45-60-61
S1/2:Keep locked up and out of the reach of children.?
S23:Do not breathe vapour.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S35:This material and its container must be disposed of in a safe way.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S60:This material and its container must be disposed of as hazardous waste.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
- 【Specification】
-
?2,2-Dibromo-2-nitroethanol , its cas register number is 69094-18-4. It also can be called?Ethanol, 2,2-dibromo-2-nitro- ;?2,2-Dibromo-2-nitro-1-ethanol ; DBNE .
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