Ethyl tribromoacetate
Basic information
- CAS
599-99-5- Standard SMILES
CCOC(=O)C(Br)(Br)Br- InChIKey
ZZUKBDJWZXVOQG-UHFFFAOYSA-N- Molecular formula
- C4H5Br3O2
- Average molar mass
- 324.79 g/mol
- Monoisotopic mass
- 321.78397
Overview
ethyl 2,2,2-tribromoacetate has been reported in Asparagopsis armata with data available.
Names & identifiers
- Preferred name
- Ethyl tribromoacetate
- IUPAC
- ethyl 2,2,2-tribromoacetate
- English name
- RARECHEM AL BI 0117
- Molecular formula
- C4H5Br3O2
- Molecular weight
- 324.79
Names & synonyms
Ethyl tribromoacetate599-99-5ethyl 2,2,2-tribromoacetateEthyl tribromoacetic acidRefChem:139063Ethyl 2,2,2-tribromoacetic acid625-982-3ZZUKBDJWZXVOQG-UHFFFAOYSA-NACETIC ACID, 2,2,2-TRIBROMOETHYL ESTEREthyl tribromoacetate, 97%SCHEMBL297524tribromo-acetic acid ethyl ester
Show more names
RARECHEM AL BI 0117Tribromoacetic acid ethyl esterAcetic acid, 2,2,2-tribromo-, ethyl ester
DTXSID60870665DB-129956
Database identifiers
- CAS
599-99-5- PubChem CID
- 521909
- DTXSID
DTXSID60870665- EC Number
- 625-982-3
- Nikkaji
- J54.982G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 225 °C · 225°C (rough estimate)
- Density
- 2.201 g/mL · 2.201 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.540
- Flash point
- 110 °C · 110 °C
- form
- liquid
- InChI
- 1S/C4H5Br3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
- InChIKey
- ZZUKBDJWZXVOQG-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(Br)(Br)Br
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- AJ7600000
- ridadr
- UN 2810 6.1/PG 3
- Toxicity
- rat,LDLo,oral,1500mg/kg (1500mg/kg),BEHAVIORAL: SLEEP,Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 183, 1938.
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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