Basic information
- CAS
594-38-7- Standard SMILES
CCC(C)(C)I- InChIKey
NWRZTQFWFPLHHX-UHFFFAOYSA-N- Molecular formula
- C5H11I
- Average molar mass
- 198.05 g/mol
- Monoisotopic mass
- 197.99055
Names & identifiers
- Preferred name
- 2-Iodo-2-methylbutane
- IUPAC
- 2-iodo-2-methylbutane
- English name
- 2-Iodo-2-methylbutane
- Molecular formula
- C5H11I
- Molecular weight
- 198.05
Names & synonyms
2-IODO-2-METHYLBUTANE594-38-7Butane, 2-iodo-2-methyl-EINECS 209-838-3DTXSID4074720RefChem:473668DTXCID5042619209-838-3tert-Amyl Iodide2-iodo-2-methyl-butanetert-pentyliodidetert.-Amyljodid
Show more names
NSC62081MFCD000190292-methyl-2-iodobutaneButane, 2-iodo-2-methylSCHEMBL1038317SCHEMBL7869331SCHEMBL7871139AAA59438
Database identifiers
- CAS
594-38-7- PubChem CID
- 11665
- DTXSID
DTXSID4074720- EC Number
- 209-838-3
- Nikkaji
- J95.702J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 39.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -85.6 °C · -85.6°C (estimate)
- Boiling point
- 154.22 °C · 154.22°C (estimate)
- Density
- 1.4867 · 1.4867
- refractive index
- 1.4955 · 1.4955
- EPA Substance Registry System
- 2 · Butane, 2-iodo-2-methyl- (594-38-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Butane, 2-iodo-2-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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