2,2-Dibromo-2-nitroethanol
Basic information
- CAS
69094-18-4- Standard SMILES
O=[N+]([O-])C(Br)(Br)CO- InChIKey
FMNZAHDAULEOSO-UHFFFAOYSA-N- Molecular formula
- C2H3Br2NO3
- Average molar mass
- 248.86 g/mol
- Monoisotopic mass
- 246.84797
Names & identifiers
- Preferred name
- 2,2-Dibromo-2-nitroethanol
- IUPAC
- 2,2-dibromo-2-nitroethanol
- English name
- 2,2-Dibromo-2-nitroethanol
- Molecular formula
- C2H3Br2NO3
- Molecular weight
- 248.86
Names & synonyms
2,2-Dibromo-2-nitroethanolEthanol, 2,2-dibromo-2-nitro-WX6VDG7X4VDIBNIROL2,2-dibromo-2-nitro-1-ethanolUNII-WX6VDG7X4VDTXSID0073613EC 412-380-9RefChem:80953DTXCID3046453412-380-969094-18-4
Show more names
DBNE76%solutionDBNE30%solutionDBNE95%solutionDibromo-2-nitroethanol2,2-dibromo-2-nitro-ethano2,2-Bibromo-2-nitroethanol
DBNE2,2-dibromo-2-nitroethan-1-ol2,2-dibromo-2-nitro-ethanolC2H3Br2NO3MFCD01752886SCHEMBL4214752,2-dibromo-2-nitro ethanolFMNZAHDAULEOSO-UHFFFAOYSA-N
Database identifiers
- CAS
69094-18-4- PubChem CID
- 93395
- DTXSID
DTXSID0073613- UNII
- WX6VDG7X4V
- EC Number
- 412-380-9
- Nikkaji
- J35.178D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.9
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 121 °C · 121 °C(Press: 19 Torr)
- Density
- 2.3583 · 2.3583 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Benzene (Slightly), Chloroform (Slightly), DMSO
- form
- Oil
- pka
- 11.84 · 11.84±0.10(Predicted)
- color
- Colourless to Pale Yellow
- CAS DataBase Reference
- 69094 · 69094-18-4(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2-3
- FDA UNII
- 6 VDG7X4V · WX6VDG7X4V
- EPA Substance Registry System
- 2 · Ethanol, 2,2-dibromo-2-nitro- (69094-18-4)
- Symbol(GHS)
- 1 · GHS01,GHS08,GHS05,GHS07,GHS09
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P203, P210, P230, P240, P250, P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P333+P317, P362+P364, P363, P370+P380, P372, P373, P391, P401, P405, and P501 (click each P-code to see the statement)
Not Classified
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
Hazard information
Regulatory Information
Chemical: Ethanol, 2,2-dibromo-2-nitro-
REACH registered substance: 2,2-dibromo-2-nitroethanol (EC: 412-380-9)
Hazard Classes and Categories
Explosive - division 1.1
Expl. 1.1
Safety data
- risk_code
- 22-35-40-43-48-50/53-48/22-2
- Signal word
- Danger
- Symbol(GHS)
- GHS01,GHS08,GHS05,GHS07,GHS09
- hazard_code
- E;C;N,N,C,E
- safety_code
- 1/2-23-26-35-36/37/39-45-60-61
- Hazard statements
- H201-H302-H314-H317-H351-H373-H410
- REACH Registrations
- Inactive
- Precautionary statements
- P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P260-P314-P501-P273-P391-P501
Chemistry & industry
Applications
Uses2,2-Dibromo-2-nitroethanol belongs to bromine compounds, is an efficient antiseptic fungicide, widely used in industrial circulating water, industrial cooling water, electricity, oil industry, algae sterilization agent.
Uses2,2-Dibromo-2-nitroethanol is an effective antibacterial halonitroalkanol.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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