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Basic information
- CAS
77868-83-8- Standard SMILES
O=C1C(Br)CCN1c1ccccc1- InChIKey
OXRJWDQGHVJQAU-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO
- Average molar mass
- 240.1 g/mol
- Monoisotopic mass
- 238.99458
Names & identifiers
- Preferred name
- 3-Bromo-1-phenylpyrrolidin-2-one
- IUPAC
- 3-bromo-1-phenylpyrrolidin-2-one
- English name
- (+/-)-3-BROMO-1-PHENYL-2-PYRROLIDINONE
- Molecular formula
- C10H10BrNO
- Molecular weight
- 240.1
Names & synonyms
3-bromo-1-phenylpyrrolidin-2-one77868-83-8(+/-)-3-Bromo-1-phenyl-2-pyrrolidinone3-bromo-1-phenyl-pyrrolidin-2-oneMFCD00800296SCHEMBL1514921DTXSID80392733OXRJWDQGHVJQAU-UHFFFAOYSA-N3-bromo-1-phenyl-2-pyrrolidinoneAKOS005258870CS-0259614EN300-73730
Show more names
2-Pyrrolidinone, 3-bromo-1-phenyl-3-Bromo-1-phenyl-2-pyrrolidinone (95%)
G30430(+/-)-3-Bromo-1-phenyl-2-pyrrolidinone, >=95.0% (GC)
Database identifiers
- CAS
77868-83-8- PubChem CID
- 3465232
- DTXSID
DTXSID80392733- EC Number
- 627-161-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 100 · 100-103 °C
- Boiling point
- 398.8 · 398.8±35.0 °C(Predicted)
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- pka
- -1.48 · -1.48±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 9 · 9-21
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- F
- 9-21
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Bromo-1-phenyl-2-pyrrolidinone is used as a reactant in the synthesis of biologically active inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海丰臣化工有限公司+86 (21) 13764690794 657056093 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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