Basic information
- Standard SMILES
OCCBr- InChIKey
LDLCZOVUSADOIV-UHFFFAOYSA-N- Molecular formula
- C2H5BrO
- Average molar mass
- 124.96 g/mol
- Monoisotopic mass
- 123.95237688
Overview
2-bromoethanol is a colorless to dark brown liquid. Sweet burning taste. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Bromoethanol
- IUPAC
- 2-bromoethanol
- English name
- 2-Bromoethanol
- Molecular formula
- C2H5BrO
- Molecular weight
- 124.96
Names & synonyms
Show more names
Database identifiers
- CAS
29155-34-8、540-51-2- PubChem CID
- 10898
- DTXSID
DTXSID8020200- ChEMBL
CHEMBL468583- UNII
- Z33995S34R
- EC Number
- 208-748-1
- Nikkaji
- J1.597K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 10
Experimental & physicochemical properties
Density
1.7629 at 68 °F (NTP, 1992) - Denser than water; will sink
1.7629 @ 20°C
Flash Point
105 °F (NTP, 1992)
105 °F
Boiling Point
300 to 302 °F at 750 mmHg (Decomposes) (NTP, 1992)
150 °C @760 [mm Hg]
Vapor Pressure
12 mmHg at 122 °F (NTP, 1992)
2.06 [mmHg]
Physical Description
2-bromoethanol is a colorless to dark brown liquid. Sweet burning taste. (NTP, 1992)
Colorless to dark brown liquid. Sweet burning taste; [CAMEO]
Physicochemical properties
- Melting point
- -80 °C · -80 °C
- Boiling point
- 56 · 56-57 °C/20 mmHg (lit.)
- Density
- 1.763 g/mL · 1.763 g/mL at 25 °C (lit.)
- vapor density
- 4.3 · 4.3 (vs air)
- vapor pressure
- 2.4 mm · 2.4 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.492(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 1 · 1-5 g/100 mL at 19°C
- form
- Liquid
- pka
- 13.82 · 13.82±0.10(Predicted)
- color
- Clear colorless to yellow
- Specific Gravity
- 1.7629 · 1.7629 (20/4℃)
- Water Solubility
- 1 · 1-5 g/100 mL at 19 ºC
- Sensitive
- Light Sensitive
- Merck
- 14 · 14,3792
- BRN
- 878140 · 878140
- Stability
- Stable, but probably light sensitive. Hygroscopic. Incompatible with strong oxidizing agents. Flammable. Forms an azeotrope with water.
- InChI
- 1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
- InChIKey
- LDLCZOVUSADOIV-UHFFFAOYSA-N
- SMILES
- OCCBr
- CAS DataBase Reference
- 540 · 540-51-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 33995 S34R · Z33995S34R
- NIST Chemistry Reference
- 2 · Ethanol, 2-bromo-(540-51-2)
- EPA Substance Registry System
- 2 · 2-Bromoethanol (540-51-2)
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H314-H226
- Precautionary statements
- 501 · P501-P270-P262-P240-P260-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,T+,Xn,F
- Risk Statements
- 23 · 23/24/25-34-40-36/37/38-26/27/28-10-67-65-48/20-38-11-63
- Safety Statements
- 26 · 26-36/37/39-45-28A-16-62-36/37
- RIDADR
- 2922 · UN 2922 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 8225000 · KJ8225000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29055900 · 29055900
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (95.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2-bromo-
Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23691
2-Bromoethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Highly toxic; [Quick CPC] Corrosive to the skin, eyes, and respiratory tract, it may cause chemical pneumonitis. [CHEMINFO MSDS] A skin and eye irritant and may be corrosive; Inhalation of vapors may cause loss of consciousness and respiratory distress; [CAMEO]
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
0.35 [mg/m3]
3.8 [mg/m3]
23 [mg/m3]
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.
Toxicology
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KJ8225000
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29055900
- risk_code
- 23/24/25-34-40-36/37/38-26/27/28-10-67-65-48/20-38-11-63
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- T,T+,Xn,F
- safety_code
- 26-36/37/39-45-28A-16-62-36/37
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300+H310+H330-H314-H226
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
- Precautionary statements
- P501-P270-P262-P240-P260-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
Applications
Description2-bromoethanol, a halogenated alipathic hydrocarbon, is a widely used industrial chemical. It is also a contaminant in food such as wheat and flour during treatment with ethylene oxide. 2-Bromoethanol was also found as a metabolite of 1,2-dibromoethane. A known carcinogen in experimental animals. 2-Bromoethanol is highly toxic in vivo and is a potent mutagen. Fatty acid conjugates of 2-bromoethanol that have been identified after 2-bromoethanol administration to rats may explain the long term 2-bromoethanol accumulation and retention in body tissues. Chronic exposure to 2-bromoethanol causes liver and kidney toxicity. 2- Bromoethanol also induces extensive lipid peroxidation in rat liver, kidney and testis slices and inhibits liver mitochondria respiration[1].
Uses2-Bromoethanol is used in selective reduction of nitroarenes (PcFe(II)/NaBH4/2-bromoethanol catalyst system). It is not used much forany commercial purpose. The risk of exposure to this compound arises when ethylene oxide reacts with hydrobromic acid. It is used as a solvent and organic synthetic raw material. 2-Bromoethanol finds application in the synthesis of 2-piperidin-1-yl-ethanol by reacting with piperidine.
General DescriptionColorless to dark brown liquid. Sweet burning taste.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
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