Iodomethane-13C
Basic information
- CAS
4227-95-6- Standard SMILES
[13CH3]I- InChIKey
INQOMBQAUSQDDS-OUBTZVSYSA-N- Molecular formula
- CH3I
- Average molar mass
- 142.932 g/mol
- Monoisotopic mass
- 142.9313
Names & identifiers
- Preferred name
- Iodomethane-13C
- IUPAC
- iodo(113C)methane
- English name
- Iodomethane-13C
- Molecular formula
- CH3I
- Molecular weight
- 142.95
Names & synonyms
Iodomethane-13CRefChem:791157629-268-24227-95-6iodo(113C)methaneIodomethane-13C (Copper Wire Stabilized)MFCD0000107513C Labeled iodomethaneiodomethane-(13)C stab.,~99 (atom % 13C)SCHEMBL13098007Iodomethane-13C (13C, 99%)AKOS015913587
Show more names
D3, 99%)lodomethane-13C[13C]-IodomethaneMETHYL-13C IODIDEMETHYL IODIDE (13C)IODOMETHANE-13C, 99 ATOM % 13CMETHYL IODIDE + COPPER WIRE (13C)
FI31490AS-87095Iodomethane-13C - 2M in t-butyl methyl etherIodomethane-13C, contains copper as stabilizerMontelukast Impurity 30; Iodomethane-13C; Methyl Iodide-13CIodomethane-13C, 99 atom % 13C, 99% (CP), contains copper as stabilizer
Database identifiers
- CAS
4227-95-6- PubChem CID
- 9989367
- EC Number
- 629-268-2
- Nikkaji
- J749.759H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 2
- Formal charge
- 0
- Complexity
- 2
Physicochemical properties
- Melting point
- 66.5 °C · −66.5 °C(lit.)
- Boiling point
- 42 °C · 42 °C(lit.)
- Density
- 2.29 g/mL · 2.290 g/mL at 25 °C
- vapor density
- 4.89 · 4.89 (vs air)
- vapor pressure
- 6.35 psi · 6.35 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.5293(lit.)
- Flash point
- -33 ℃ · -33℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform
- form
- Oil
- color
- Colourless
- BRN
- 1697017 · 1697017
- Stability
- Light Sensitive, Volatile
- CAS Number Unlabeled
- 74 · 74-88-4
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H312-H315-H335-H351
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- F
- 8
- wgk
- 3
- ridadr
- UN 2644 6.1/PG 1
- risk_code
- 21-23/25-37/38-40-48/20/22-38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T,Xn
- safety_code
- 36/37-38-45
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H301+H331-H312-H315-H335-H351
- Excepted Quantities
- Forbidden
- Precautionary statements
- P202-P261-P280-P301+P310-P302+P352+P312-P304+P340+P311
Chemistry & industry
Applications
UsesIodomethane-13C is used in the characterization of reactive intermediates in the Heck reaction. In addition it is incorporated into unnatural amino acids that are then used in the analysis of large proteins by NMR spectroscopy.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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