Basic information
- CAS
82820-87-9- Standard SMILES
O=C(Cl)C(Br)CCBr- InChIKey
WYZLYWUZERABRL-UHFFFAOYSA-N- Molecular formula
- C4H5Br2ClO
- Average molar mass
- 264.34 g/mol
- Monoisotopic mass
- 261.83956666
Names & identifiers
- Preferred name
- 2,4-Dibromobutyryl chloride
- IUPAC
- 2,4-dibromobutanoyl chloride
- English name
- 2,4-Dibromobutyryl chloride
- Molecular formula
- C4H5Br2ClO
- Molecular weight
- 264.34
Names & synonyms
2,4-Dibromobutyryl chloride2,4-dibromobutanoyl chloride82820-87-9DTXSID50403002RefChem:443235DTXCID10353857629-640-42,4-dibromobutyrylchlorideButanoyl chloride, 2,4-dibromo-MFCD018629942,4-dibromobutanoic acid chlorideBC004825
Show more names
EOS-60357Bepotastine Impurity 132,4-Dibromobutyryl chloride ISO 9001：2015 REACH2,4-DibroMobutyryl chloride technical, ~90% (GC)
C4H5Br2ClOOlutasidenib Impurity 112,4dibromobutyryl chloride2,4 dibromobutanoyl chlorideBrCH2CH2CH(Br)C(O)Cl2,4-dibromo-butyryl chlorideSCHEMBL7890952,4-dibromobutyric acid chloride
Database identifiers
- CAS
82820-87-9- PubChem CID
- 4413143
- DTXSID
DTXSID50403002- EC Number
- 629-640-4
- Nikkaji
- J3.676.464C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Boiling point
- 84 · 84-87 °C(Press: 8 Torr)
- Density
- 2 g/mL · 2.00 g/mL at 20 °C
- refractive index
- 20 · n20/D 1.536
- storage temp.
- 2 · 2-8°C
- form
- oil
- color
- Clear, pale yellow
- BRN
- 4955401 · 4955401
- InChI
- 1S/C4H5Br2ClO/c5-2-1-3(6)4(7)8/h3H,1-2H2
- InChIKey
- WYZLYWUZERABRL-UHFFFAOYSA-N
- SMILES
- ClC(=O)C(Br)CCBr
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317-H334
- Precautionary statements
- 261 · P261-P272-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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
- F
- 8-10-19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2915907098
- risk_code
- 14-34-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314-H317-H334
- Hazard Classifications
- Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
- Precautionary statements
- P261-P272-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2,4-Dibromobutyryl chloride was used in the preparation of:methyl 2,4-dibromobutanoateseries of 3-(3, 5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones, anti-inflammatory/analgesic agentsα-bromolactam
Upstream & downstream products
Downstream products
Suppliers49 total
常州金和生物科技有限公司18796930758 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
26 records
Compound notes
Loading…