Basic information
- CAS
214760-18-6- Standard SMILES
CC(=O)c1ccc(C#N)c(F)c1- InChIKey
JWNHQAOIXWUFMG-UHFFFAOYSA-N- Molecular formula
- C9H6FNO
- Average molar mass
- 163.15 g/mol
- Monoisotopic mass
- 163.04334203
Names & identifiers
- Preferred name
- 4-Acetyl-2-fluorobenzonitrile
- IUPAC
- 4-acetyl-2-fluorobenzonitrile
- English name
- Benzonitrile, 4-acetyl-2-fluoro- (9CI)
- Molecular formula
- C9H6FNO
- Molecular weight
- 163.15
Names & synonyms
4-ACETYL-2-FLUOROBENZONITRILE214760-18-6DTXSID00626042RefChem:289630DTXCID00576795821-367-0Benzonitrile, 4-acetyl-2-fluoro- (9CI)MFCD105750084'-Cyano-3'-fluoroacetophenoneBenzonitrile,4-acetyl-2-fluoro-4-acetyl-2-fluoro-benzonitrileAS-40117
Show more names
CS-0030459EN300-126938Z1198275545AMY28584Benzonitrile,4-acetyl-2-fluoro-(9CI)SCHEMBL1953476JWNHQAOIXWUFMG-UHFFFAOYSA-NAKOS006303135
Database identifiers
- CAS
214760-18-6- PubChem CID
- 22481653
- DTXSID
DTXSID00626042- EC Number
- 821-367-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 296.2 · 296.2±25.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Light brown to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers51 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
上海青航化工有限公司021-50840321, 18601625411 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
安徽敬同药业股份有限公司13675155016 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
无锡双启科技有限公司0510-86529556 18114865355 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
17 records
Compound notes
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