Ethyl 2-bromoisobutyrate
fo-4af6dbba251b1001
Identity
- Type
- Neutral molecule
- CAS
- 600-00-0
- EC
- 209-980-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
17- 2-Bromo-2-methylpropanoic acid ethyl ester
- 2-Bromo-2-methylpropionic acid ethyl ester
- 2-Bromoisobutanoic acid ethyl ester
- 2-Bromoisobutyric acid ethyl ester
- Ebib
- Ethyl 2-bromisobutyrate
- Ethyl 2-bromo-2-methylpropanoate
- Ethyl 2-bromo-2-methylpropionate
- Ethyl 2-bromoisobutanoate
- Ethyl 2-methyl-2-bromopropionate
- Ethyl bromoisobutyrate
- Ethyl α-bromo-α-methylpropionate
- Ethyl α-bromoisobutyrate
- Isobutyric acid, α-bromo-, Et ester
- Propanoic acid, 2-bromo-2-methyl-, ethyl ester
- Propionic acid, 2-bromo-2-methyl-, ethyl ester
- α-Bromoisobutyric acid ethyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IOLQWGVDEFWYNP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Ethyl 2-bromoisobutyrate |
| Molecular formula chemrof:molecular_formula | C6H11BrO2 |
| Molecular mass chemrof:molecular_mass | 195.056 |
| Monoisotopic mass chemrof:monoisotopic_mass | 193.994242 |
| SMILES string chemrof:smiles_string | CCOC(=O)C(C)(C)Br |
Known URLs
9Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3955d514-743f-4126-a5cf-158705147625 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 71b99e04-5446-4f3b-9e61-b1bfa8567201 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fe8f0234-5096-4597-87c0-e4973a4b47eb | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 19d8fe60-438d-4dc5-9c60-ea9409f70a12 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7707cf12-aa22-409a-a31a-8ec05fc3267a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4b146368-705a-49a7-8b2c-2e18c5830d48 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 30da33cc-592e-4225-8767-58c8b10f368b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 5760990e-0604-4baf-93cb-d9261a52d1de | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| bdd900b1-cd9c-4f9f-b32e-765137fb3fbe | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a6e9eb04-b384-408c-8450-67557bc2f5c4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 997162ec-81e2-47f0-a55d-eff7cb246141 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8e17a356-ef41-492d-8e31-a405b81eba7d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 39a07d60-c619-4131-8af9-35ed9c4dd28a | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}