6-Chloro-2-iodo-3-methylpyridine
Basic information
- CAS
1261473-80-6- Standard SMILES
Cc1ccc(Cl)nc1I- InChIKey
UXVOHTRDIXCCJR-UHFFFAOYSA-N- Molecular formula
- C6H5ClIN
- Average molar mass
- 253.47 g/mol
- Monoisotopic mass
- 252.91552
Names & identifiers
- Preferred name
- 6-Chloro-2-iodo-3-methylpyridine
- IUPAC
- 6-chloro-2-iodo-3-methylpyridine
- English name
- 6-Chloro-2-iodo-3-methylpyridine
- Molecular formula
- C6H5ClIN
- Molecular weight
- 253.47
Names & synonyms
6-chloro-2-iodo-3-methylpyridine1261473-80-6RefChem:541534858-871-5MFCD184157336-Chloro-2-iodo-3-methyl-pyridinePyridine, 6-chloro-2-iodo-3-methyl-SCHEMBL9882404AKOS025403434BS-20088SY383731DB-359386
Show more names
SKL531
CS-02092606-Chloro-2-iodo-3-methylpyridine, AldrichCPRF90317
Database identifiers
- CAS
1261473-80-6- PubChem CID
- 71299112
- EC Number
- 858-871-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Boiling point
- 277.4 · 277.4±35.0 °C(Predicted)
- Density
- 1.906 · 1.906±0.06 g/cm3(Predicted)
- pka
- -2.44 · -2.44±0.10(Predicted)
- form
- solid
- InChI
- 1S/C6H5ClIN/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3
- InChIKey
- UXVOHTRDIXCCJR-UHFFFAOYSA-N
- SMILES
- Cc1ccc(Cl)nc1I
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Storage Class
- 11 · 11 - Combustible Solids
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.
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H335-H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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