Basic information
- CAS
42014-52-8- Standard SMILES
O=C(CCCBr)ON1C(=O)CCC1=O- InChIKey
AAGAKYYEPYSBCP-UHFFFAOYSA-N- Molecular formula
- C8H10BrNO4
- Average molar mass
- 264.07 g/mol
- Monoisotopic mass
- 262.97932
Names & identifiers
- Preferred name
- Butanoic acid, 4-bromo-, 2,5-dioxo-1-pyrrolidinyl ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 4-bromobutanoate
- English name
- Butanoic acid, 4-bromo-, 2,5-dioxo-1-pyrrolidinyl ester
- Molecular formula
- C8H10BrNO4
- Molecular weight
- 264.07
Names & synonyms
42014-52-8Butanoic acid, 4-bromo-, 2,5-dioxo-1-pyrrolidinyl esterRefChem:3308912,5-dioxopyrrolidin-1-yl 4-bromobutanoate(2,5-dioxopyrrolidin-1-yl) 4-bromobutanoate1-[(4-Bromobutanoyl)oxy]pyrrolidine-2,5-dioneMFCD086898784-Bromobutyric acid NHS esterorb2645444SCHEMBL3542603DTXSID10628557SY515389
Show more names
4-Bromobutanoic Acid N-Succinimidyl Ester
H57741A1-06594
Database identifiers
- CAS
42014-52-8- PubChem CID
- 22832002
- DTXSID
DTXSID10628557- EC Number
- 183-122-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 337 · 337.0±44.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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