2-Bromoethylazanium;bromide
Basic information
- CAS
2576-47-8- Standard SMILES
[Br-].[NH3+]CCBr- InChIKey
WJAXXWSZNSFVNG-UHFFFAOYSA-N- Molecular formula
- C2H7Br2N
- Average molar mass
- 204.89 g/mol
- Monoisotopic mass
- 202.89452
Overview
See also: 2-Bromoethylamine hydrobromide (preferred).
Names & identifiers
- Preferred name
- 2-Bromoethylazanium;bromide
- IUPAC
- 2-bromoethylazanium bromide
- English name
- 2-Bromoethylamine hydrobromide
- Molecular formula
- C2H7Br2N
- Molecular weight
- 204.89
Names & synonyms
2-bromoethylazanium;bromideNSC 3379NSC 3406EINECS 219-924-22-bromoethylamine, bromideb-bromoethylammonium bromideSBB060242AKOS005068093AKOS032949844NS000816062-BROMOETHYLAMMONIUM BROMIDE2BEHR
Show more names
JACS-2576-47-8BromoethylamineHbr2-Bromoethanamine HBrAMINOETHYL BROMIDE HBR2-BROMOETHYLAMINE HBR 99%2-(DIALLYLAMINO)ETHYLAMINE2-Bromoethylazanium bromidebromoethylamine,hydrobromide
Database identifiers
- CAS
2576-47-8- PubChem CID
- 17402
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 10
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 181.3 ℃[at · 181.3℃[at 101 325 Pa]
- Density
- 1.9061 · 1.9061 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 1.5393 · 1.5393 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 500 g/l · >500g/l
- form
- Crystalline Powder or Crystals
- color
- White to light beige
- PH
- 2.9 · 2.9 (10g/l, H2O, 20℃)
- Water Solubility
- 500 g/L · > 500 g/L (20 ºC)
- Sensitive
- Hygroscopic
- BRN
- 3607605 · 3607605
- InChI
- 1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H
- InChIKey
- WJAXXWSZNSFVNG-UHFFFAOYSA-N
- SMILES
- Br.NCCBr
- LogP
- 0.795 at · 0.795 at 25℃
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KQ8225000
- hs_code
- 29211980
- Toxicity
- LD50 orally in Rabbit: > 200 - 2000 mg/kg
- risk_code
- 36/37/38-68-52/53-43-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37-61-36/37/39-36
- hazard_class
- IRRITANT, CORROSIVE
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- Precautionary statements
- P264-P270-P273-P301+P312-P501
Chemistry & industry
Applications
Uses2-Bromoethylamine hydrobromide is used to construct C2-symmetric imidazolidinylidene ligands with a dioxolane backbone. It acts as a building block which is used for proteomics research. It is also used as organic and pharmaceutical intermediates for the preparation of first-aid medicines.
General DescriptionCrystals.
Preparation methods
Preparation2-Bromoethylamine hydrobromide was synthesized by bromination of ethanolamine. Drop into hydrobromic acid in the reaction pot, cool, add ethanolamine dropwise under stirring, and finish adding dropwise within half an hour, then steam the hydrobromic acid of 85% of the input quantity (the feed quantity of hydrobromic acid is 8.89 times the weight of ethanolamine) , about 20h steamed. After the concentrated solution is cooled to 70-80°C, it is put into pre-chilled acetone, cooled to below 5°C, and the crystallized 2-bromoethylamine hydrobromide is filtered out. Yield 70%.
Upstream & downstream products
Upstream raw materials
Downstream products
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