Basic information
- CAS
394-65-0- Standard SMILES
Fc1nccc2ccccc12- InChIKey
YYMRKWBKEKCKHM-UHFFFAOYSA-N- Molecular formula
- C9H6FN
- Average molar mass
- 147.15 g/mol
- Monoisotopic mass
- 147.04842736
Names & identifiers
- Preferred name
- 1-Fluoroisoquinoline
- IUPAC
- 1-fluoroisoquinoline
- English name
- 1-fluoroisoquinoline
- Molecular formula
- C9H6FN
- Molecular weight
- 147.15
Names & synonyms
1-fluoroisoquinoline394-65-0isoquinoline, 1-fluoro-RefChem:75826829-080-2InChI=1/C9H6FN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6SCHEMBL1741872SCHEMBL8297837SCHEMBL20264945SCHEMBL30531504DTXSID101315289MFCD11865307
Show more names
DA-29377SY379382EN300-5174253
Database identifiers
- CAS
394-65-0- PubChem CID
- 640962
- DTXSID
DTXSID101315289- EC Number
- 829-080-2
- Nikkaji
- J3.367.079F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 208 ℃ · 208℃
- refractive index
- 1.5861 · 1.5861 (589.3 nm 30℃)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
南京思诺康科技有限公司13891683844 13891683844 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
成都康悦慧蓝医药技术有限公司028-81092800 17323275954 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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