Basic information
- Standard SMILES
CC(C)I- InChIKey
FMKOJHQHASLBPH-UHFFFAOYSA-N- Molecular formula
- C3H7I
- Average molar mass
- 169.99 g/mol
- Monoisotopic mass
- 169.95924822
Overview
structure
Names & identifiers
- Preferred name
- Isopropyl iodide
- IUPAC
- 2-iodopropane
- English name
- 2-Iodopropane
- Molecular formula
- C3H7I
- Molecular weight
- 169.99
Names & synonyms
2-IODOPROPANEIsopropyl iodide75-30-9Propane, 2-iodo-2-Propyl iodidesec-Propyl iodide67K05OPZ0EDTXSID4058788RefChem:792175DTXCID1047736200-859-3isopropyliodide
Show more names
2-iodo-propan2-Iodopropane OR Isopropyl Iodideiso-C3H7I2-Iodpropan2-Propyljodid2-propyliodideIsopropyliodid
2-Jodpropan2-IODO-PROPANE1-methylethyl iodideC3H7Ii-Propyl iodideMFCD000010712-Iodopropane (Stabilized with Copper)2-Jodpropan [Czech]
Database identifiers
- CAS
75-30-9- PubChem CID
- 6362
- DTXSID
DTXSID4058788- UNII
- 67K05OPZ0E
- EC Number
- 200-859-3
- Nikkaji
- J1.450H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 10.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesCoriolis coupling
LogP2.89
Vapor Pressure43.1 [mmHg]
Physical DescriptionColorless liquid; Discolored by air and light; [Hawley] Clear faintly yellow-green liquid; May discolor on light exposure; [MSDSonline]
Collision Cross Section154 Ų [M+H]+
Physicochemical properties
- Melting point
- -90 °C · -90 °C
- Boiling point
- 90 °C · 90 °C
- Density
- 1.703 g/mL · 1.703 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.498(lit.)
- Flash point
- 108 °F · 108 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 1.4 g/l · 1.4g/l
- form
- Liquid
- color
- Clear colorless to light yellow
- Water Solubility
- Soluble in water(1.4g/L).
- Thermal Conductivity
- 0.082 W/ · 0.082 W/(m·K) at 25 ℃
- Sensitive
- Light Sensitive
- Merck
- 14 · 14,5214
- BRN
- 1098244 · 1098244
- Henry's Law Constant
- 8.5 · 8.5×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 8.19 · 8.1899999999999995
- Exposure limits
- 0.2 mg/m3; · ACGIH: TWA 0.2 mg/m3; TWA 1 mg/m3OSHA: TWA 0.1 mg/m3; TWA 1 mg/m3NIOSH: IDLH 100 mg/m3; TWA 1 mg/m3; TWA 0.1 mg/m3
- Stability
- Stable, but may discolour on exposure to light. Air sensitive. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C3H7I/c1-3(2)4/h3H,1-2H3
- InChIKey
- FMKOJHQHASLBPH-UHFFFAOYSA-N
- SMILES
- CC(C)I
- LogP
- 2.89 · 2.890
- CAS DataBase Reference
- 75 · 75-30-9(CAS DataBase Reference)
- FDA UNII
- 67 K05OPZ0E · 67K05OPZ0E
- NIST Chemistry Reference
- 2 · Propane, 2-iodo-(75-30-9)
- EPA Substance Registry System
- 2 · Propane, 2-iodo- (75-30-9)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-22-36/37/38
- Safety Statements
- 36 · 36/37-37/39-26-16
- RIDADR
- 2392 · UN 2392 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 4200000 · TZ4200000
- F
- 8 · 8
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29033990 · 29033990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Propane, 2-iodo-
Isopropyl iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; May cause skin sensitization; [MSDSonline] Search for the CAS number 75-30-9 found 3 records, none documenting skin sensitization; [PubMed]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Toxicity DataLC50 (rat) = 320,000mg/m3/30min
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ4200000
- ridadr
- UN 2392 3/PG 3
- hs_code
- 29033990
- risk_code
- 10-22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 36/37-37/39-26-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H315-H319-H226
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Uses & manufacturing
UsesUsed for organic synthesis; [Hawley]
General Manufacturing InformationPropane, 2-iodo-: ACTIVE
Applications
Uses2-Iodopropane is used to prepare butyric and isobutyric acid, as a solvent, also used in medicine and organic synthesis.
UsesOrganic synthesis, pharmaceuticals. 2-Iodopropane (Isopropyl iodide) was used to prepare butyric and isobutyric acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1,935 records
Linked notes
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