Basic information
- CAS
5437-60-5- Standard SMILES
O=[N+]([O-])C(Br)CO- InChIKey
OGGHUMVMTWCANK-UHFFFAOYSA-N- Molecular formula
- C2H4BrNO3
- Average molar mass
- 169.96 g/mol
- Monoisotopic mass
- 168.93746
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Bromo-2-nitroethanol
- IUPAC
- 2-bromo-2-nitroethanol
- English name
- 2-Bromo-2-nitroethanol
- Molecular formula
- C2H4BrNO3
- Molecular weight
- 169.96
Names & synonyms
2-Bromo-2-nitroethanol5437-60-5Ethanol, 2-bromo-2-nitro-FA22WV2B2ZNSC-16149DTXSID10896850bromonitroethanolRefChem:85648DTXCID9013263132-bromo-2-nitroethan-1-olC2H4BrNO3NSC 16149
Show more names
UNII-FA22WV2B2ZEthanol,2-bromo-2-nitro-BRN 1753999NSC161492-bromo-2-nitro-ethanol1-bromo-1-nitroethane-2-olSCHEMBL460015MFCD01728010
Database identifiers
- CAS
5437-60-5- PubChem CID
- 95508
- DTXSID
DTXSID10896850- UNII
- FA22WV2B2Z
- EC Number
- 611-128-7
- Nikkaji
- J49.822J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 69.8
Physicochemical properties
- Boiling point
- 83 °C · 83 °C(Press: 2 Torr)
- Density
- 1.9201 g/cm3 · 1.9201 g/cm3
- pka
- 2.86 · 2.86±0.36(Predicted)
- FDA UNII
- 22 WV2B2Z · FA22WV2B2Z
- EPA Substance Registry System
- 2 · Ethanol, 2-bromo-2-nitro- (5437-60-5)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
Uses2-Bromo-2-nitroethanol is a transformation product of the broad-spectrum preservative bronopol (BNP) and can be useful in toxicity evaluation for environmental risk assessment.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Carbosynth[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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