Basic information
- CAS
77801-22-0- Standard SMILES
COc1c(F)cccc1C#N- InChIKey
XSWPZUMXEKDICZ-UHFFFAOYSA-N- Molecular formula
- C8H6FNO
- Average molar mass
- 151.14 g/mol
- Monoisotopic mass
- 151.04334198
Names & identifiers
- Preferred name
- 3-Fluoro-2-methoxybenzonitrile
- IUPAC
- 3-fluoro-2-methoxybenzonitrile
- English name
- 3-Fluoro-2-methoxybenzonitrile
- Molecular formula
- C8H6FNO
- Molecular weight
- 151.14
Names & synonyms
3-fluoro-2-methoxybenzonitrile77801-22-0DTXSID00609633RefChem:279361DTXCID40560390MFCD06637312SCHEMBL6791583-fluoro-2-methoxy-benzonitrileSCHEMBL15390519XSWPZUMXEKDICZ-UHFFFAOYSA-N3-fluoro-2-methoxybenzenecarbonitrileSBB086763
Show more names
BUTTPARK 87\01-77Methoxy-3-fluorobenzonitrile2-Methoxy-3-fluorobenzonitrileBenzonitrile,3-fluoro-2-Methoxy-
AKOS005258285s10447AS-54477SY022612DB-016005CS-0098779F046357BUTTPARK 87\01-77;3-FLUORO-2-METHOXYBENZONITRILE;2-Methoxy-3-fluorobenzonitrile
Database identifiers
- CAS
77801-22-0- PubChem CID
- 20754758
- DTXSID
DTXSID00609633- EC Number
- 642-832-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 252 ℃ · 252℃
- Density
- 1.18 · 1.18
- Flash point
- 107 ℃ · 107℃
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H315-H319-H330-H335
- Precautionary statements
- 260 · P260-P280-P284-P301+P310-P305+P351+P338-P310
- 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
Danger
H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (20%)
Safety data
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H315-H319-H330-H335
- Precautionary statements
- P260-P280-P284-P301+P310-P305+P351+P338-P310
Chemistry & industry
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
上海澄拓化工科技有限公司021-59904146 18001826933 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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