CAS 15501-33-4 Propane, 1-iodo-2,2-dimethyl- (HCID 84953)

Names & identifiers

Preferred name: Propane, 1-iodo-2,2-dimethyl-
IUPAC: 1-iodo-2,2-dimethylpropane
English name: Neopentyl iodide
Molecular formula: C5H11I
Molecular weight: 198.05

Names & synonyms

1-Iodo-2,2-dimethylpropaneNeopentyl iodidePropane, 1-iodo-2,2-dimethyl-2,2-Dimethyl-1-iodopropane2,2-Dimethylpropyl iodideEINECS 239-533-0DTXSID3065904RefChem:176281DTXCID4034992239-533-0CJTZXIJETZZARD-UHFFFAOYSA-N15501-33-4

Show more names

1-iodo-2,2-dimethyl-propanNeopentyliodide, stabilizedPropane,1-iodo-2,2-dimethyl-Neopentyl iodide,97%,stabilizedNeopentyl Iodide extrapure, 98%Neopentyl iodide, stabilized, 97% 5GR

MFCD00001083BV5L8SHD6W1-iodo-2,2-dimethyl-propaneNeopentyliodide1-Iodo-2,2-dimethylpropane, 98%NSC617421UNII-BV5L8SHD6W1-Iodo-22-dimethylpropane

Database identifiers

CAS: 15501-33-4
PubChem CID: 84953
DTXSID: DTXSID3065904
ChEMBL: CHEMBL1993907
UNII: BV5L8SHD6W
EC Number: 239-533-0
Nikkaji: J317.944C

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 33.7

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -85.6 °C · -85.6°C (estimate)
Boiling point: 70 · 70-71 °C100 mm Hg(lit.)
Density: 1.494 g/mL · 1.494 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.489(lit.)
Flash point: 91 °F · 91 °F
storage temp.: Flammables area
form: liquid
BRN: 1718796 · 1718796
Stability: Stable, but may discolour upon exposure to light. Flammable. Incompatible with strong oxidizing agents.
InChI: 1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey: CJTZXIJETZZARD-UHFFFAOYSA-N
SMILES: CC(C)(C)CI
FDA UNII: 5 L8SHD6W · BV5L8SHD6W
NIST Chemistry Reference: 1 · Propane, 1-iodo-2,2-dimethyl-(15501-33-4)
EPA Substance Registry System: 1 · Propane, 1-iodo-2,2-dimethyl- (15501-33-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
F: 8 · 8-9
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29033990 · 29033990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 8-9
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29033990
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P233-P240-P241-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropane, 1-iodo-2,2-dimethyl-: INACTIVE

Applications

UsesMechanism of coupling of 1-Iodo-2,2-dimethylpropane was carried out by electrochemically generated nickel(0) complex promoter [Ni(PPh3)4].

General DescriptionMechanism of coupling of 1-Iodo-2,2-dimethylpropane was carried out by electrochemically generated nickel(0) complex promoter [Ni(PPh3)4].