Basic information
- CAS
216144-18-2- Standard SMILES
O=C(CBr)c1ccc(N2CCCC2)cc1- InChIKey
WLRIUCQUMKJOGT-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO
- Average molar mass
- 268.15 g/mol
- Monoisotopic mass
- 267.02587617
Names & identifiers
- Preferred name
- 4-(Pyrrolidin-1-yl)phenacyl bromide
- IUPAC
- 2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
- English name
- ALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONE
- Molecular formula
- C12H14BrNO
- Molecular weight
- 268.15
Names & synonyms
4-(Pyrrolidin-1-yl)phenacyl bromideRefChem:516880640-700-9216144-18-22-Bromo-1-(4-(pyrrolidin-1-yl)phenyl)ethanone2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanoneALPHA-BROMO-4-(1-PYRROLIDINO)ACETOPHENONEMFCD01075690Ethanone,2-bromo-1-[4-(1-pyrrolidinyl)phenyl]-2-Bromo-1-[4-(Pyrrolidin-1-Yl)Phenyl]Ethan-1-One2-bromo-1-(4-pyrrolidinylphenyl)ethan-1-one2-Bromo-1-(4-(pyrrolidin-1-yl)phenyl)ethan-1-one
Show more names
LABOTEST-BB LT004548304-(1-Pyrrolidino)phenacyl bromide1-[4-(Bromoacetyl)phenyl]pyrrolidineα-Bromo-4-(1-pyrrolidino)acetophenone4-(Pyrrolidin-1-yl)phenacylbromide97%2-bromo-4'-(1-pyrrolidino)acetophenone4-(Pyrrolidin-1-yl)phenacyl bromide 97%1-[4-(Bromoacetyl)phenyl]pyrrolidine 97%
SCHEMBL627822DTXSID60394972WLRIUCQUMKJOGT-UHFFFAOYSA-NSBB057938AKOS005206797PS-98832-Bromo-4'-(1-pyrrolidinyl)acetophenoneDB-045637
Database identifiers
- CAS
216144-18-2- PubChem CID
- 3681785
- DTXSID
DTXSID60394972- EC Number
- 640-700-9
- Nikkaji
- J1.312.363B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 120 · 120-122°C
- Boiling point
- 386.6 · 386.6±22.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 2.12 · 2.12±0.40(Predicted)
- form
- solid
- color
- Yellow
- Water Solubility
- Insoluble in water.
- BRN
- 8549816 · 8549816
- CAS DataBase Reference
- 216144 · 216144-18-2(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3261 · UN3261
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- HS Code
- 2933998090 · 2933998090
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- UN3261
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 8
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Bromo-4'-(1-pyrrolidinyl)acetophenone is an important raw material and used as pharmaceutical intermediates.
Upstream & downstream products
Downstream products
Suppliers30 total
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
南京天海医药科技有限公司025-58351158 13851454004 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
8 records
Compound notes
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