Basic information
- CAS
927-68-4- Standard SMILES
CC(=O)OCCBr- InChIKey
RGHQKFQZGLKBCF-UHFFFAOYSA-N- Molecular formula
- C4H7BrO2
- Average molar mass
- 167 g/mol
- Monoisotopic mass
- 165.96294
Names & identifiers
- Preferred name
- 1-Acetoxy-2-bromoethane
- IUPAC
- 2-bromoethyl acetate
- English name
- 2-Bromoethyl acetate
- Molecular formula
- C4H7BrO2
- Molecular weight
- 167
Names & synonyms
2-BROMOETHYL ACETATE927-68-4Bromoethyl acetate1-Acetoxy-2-bromoethane2-Bromoethylacetate1-Bromo-2-acetoxyethaneEthanol, 2-bromo-, acetateAcetic Acid 2-Bromoethyl Ester2-acetoxyethyl bromide2-bromoethanol acetateEthanol, 2-bromo-, 1-acetateNSC 7079
Show more names
bromoethylacetate2-bromo-ethanoacetate1-ACETYL-2-BROMOETHANE2-BromoethylAcetate97%2-bromoethyl ethanoateBETA-BROMOETHYL ACETATE
EINECS 213-159-8NRZ256O7QBBRN 1743110NSC-7079BROMOETHYL ACETATE, 2-DTXSID70878738RefChem:428951DTXCID401016777
Database identifiers
- CAS
927-68-4- PubChem CID
- 13564
- DTXSID
DTXSID70878738- ChEMBL
CHEMBL42088- UNII
- NRZ256O7QB
- EC Number
- 213-159-8
- Nikkaji
- J1.743D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62
Experimental & physicochemical properties
Kovats Retention Index882
Physicochemical properties
- Melting point
- -14 · -14--13.8 °C (lit.)
- Boiling point
- 159 °C · 159 °C (lit.)
- Density
- 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform, Ethanol (Very Slightly)
- form
- Liquid
- color
- Clear colorless to yellow
- Specific Gravity
- 1.52 · 1.52
- BRN
- 1743110 · 1743110
- InChI
- 1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
- InChIKey
- RGHQKFQZGLKBCF-UHFFFAOYSA-N
- SMILES
- CC(=O)OCCBr
- CAS DataBase Reference
- 927 · 927-68-4(CAS DataBase Reference)
- FDA UNII
- 256 O7QB · NRZ256O7QB
- NIST Chemistry Reference
- 2 · Ethanol, 2-bromo-, acetate(927-68-4)
- EPA Substance Registry System
- 2 · Ethanol, 2-bromo-, acetate (927-68-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- RIDADR
- 1760 · 1760
- WGK Germany
- 3 · 3
- RTECS
- 8227000 · KJ8227000
- F
- 19 · 19
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29159000 · 29159000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationChemical: Ethanol, 2-bromo-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (95.3%)
Regulatory information
Regulatory InformationChemical: Ethanol, 2-bromo-, acetate
Safety data
- F
- 19
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KJ8227000
- ridadr
- 1760
- hs_code
- 29159000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-bromo-, 1-acetate: INACTIVE
Applications
Uses2-Bromoethyl acetate was used as alkylating reagent during asymmetric total synthesis of (+)-1-deoxylycorine and (+)-lycorine.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Related reactions
413 records
Compound notes
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