Basic information
- CAS
25966-39-6- Standard SMILES
CC1CC(Br)C(=O)O1- InChIKey
FLOKBGAYTGLYGR-UHFFFAOYSA-N- Molecular formula
- C5H7BrO2
- Average molar mass
- 179.01 g/mol
- Monoisotopic mass
- 177.96294
Names & identifiers
- Preferred name
- alpha-Bromo-gamma-valerolactone
- IUPAC
- 3-bromo-5-methyloxolan-2-one
- English name
- alpha-Bromo-gamma-valerolactone
- Molecular formula
- C5H7BrO2
- Molecular weight
- 179.01
Names & synonyms
25966-39-6alpha-Bromo-gamma-valerolactone.alpha.-Bromo-.gamma.-valerolactoneEINECS 247-380-6NSC 914862(3H)-Furanone, 3-bromodihydro-5-methyl-3-Bromo-5-methyldihydro-2(3H)-furanoneValeric acid, 2-bromo-4-hydroxy-, .gamma.-lactoneRefChem:111106Valeric acid, 2-bromo-4-hydroxy-, gamma-lactone247-380-6FLOKBGAYTGLYGR-UHFFFAOYSA-N
Show more names
α-Bromo-γ-valerolactoneα-Bromo-γ-valerolactoneALPHA-BROMO--VALEROLACTONEα-Bromo-gamma-valerolactone3-Bromo-5-methyloxolane-2-onealpha-Bromo-gamma-valerolactone(c,t)3-Bromo-5-methyltetrahydrofuran-2-one
3-bromo-5-methyloxolan-2-one3-bromo-5-methyldihydrofuran-2(3h)-oneNSC91486A818112SCHEMBL1449058CHEMBL1993710DTXSID80948870alpha-bromo-gamma-methylbutyrolactone
Database identifiers
- CAS
25966-39-6- PubChem CID
- 98229
- DTXSID
DTXSID80948870- ChEMBL
CHEMBL1993710- EC Number
- 247-380-6
- Nikkaji
- J308.362D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 156.5 °C · 156.5°C (rough estimate)
- Density
- 1.627 g/mL · 1.627 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.493(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- InChI
- 1S/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3
- InChIKey
- FLOKBGAYTGLYGR-UHFFFAOYSA-N
- SMILES
- CC1CC(Br)C(=O)O1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314-H335
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
Chemistry & industry
Applications
Usesα-Bromo-γ-valerolactone was used in the synthesis of α-(2-ethoxythiocarbonylthio)-γ-valerolactone.
Suppliers6 total
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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