Basic information
- CAS
945600-05-5- Standard SMILES
Fc1nccc(I)c1CCCCl- InChIKey
UXHMHXXJWOGUCI-UHFFFAOYSA-N- Molecular formula
- C8H8ClFIN
- Average molar mass
- 299.51 g/mol
Names & identifiers
- Preferred name
- 3-(3-Chloropropyl)-2-fluoro-4-iodopyridine
- IUPAC
- 3-(3-chloropropyl)-2-fluoro-4-iodopyridine
Names & synonyms
3-(3-chloropropyl)-2-fluoro-4-iodopyridine945600-05-5RefChem:491953996-350-5SCHEMBL581364UXHMHXXJWOGUCI-UHFFFAOYSA-NDB-150637EN300-7968381
Database identifiers
- CAS
945600-05-5- PubChem CID
- 23657233
- EC Number
- 996-350-5
- Nikkaji
- J2.509.776I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
5 records
Compound notes
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