2-Iodo-2-methylpropane

HCID 11206CAS 558-17-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)I
InChIKey
ANGGPYSFTXVERY-UHFFFAOYSA-N
Molecular formula
C4H9I
Average molar mass
184.02 g/mol
Monoisotopic mass
183.9749

Names & identifiers

Preferred name
2-Iodo-2-methylpropane
IUPAC
2-iodo-2-methylpropane
English name
2-IODO-2-METHYLPROPANE
Molecular formula
C4H9I
Molecular weight
184.02

Names & synonyms

tert-Butyl iodide2-Iodo-2-methylpropaneTrimethyliodomethanePROPANE, 2-IODO-2-METHYL-t-butyl iodideUNII-E5HY19G10PEINECS 209-190-1E5HY19G10P2-methyl-2-iodopropaneBRN 0505950tert-C4H9I1,1-dimethylethyl iodide
Show more names
2-Iodoisobutanetert.-Butyljodid2-Jod-2-methylpropan2-iodo-2-methyl-propan
4-01-00-00300 (Beilstein Handbook Reference)BUTYL IODIDE, TERT-DTXSID3060328RefChem:87649DTXCID2041969ANGGPYSFTXVERY-UHFFFAOYSA-NInChI=1/C4H9I/c1-4(2,3)5/h1-3H558-17-8

Database identifiers

CAS
558-17-8
PubChem CID
11206
DTXSID
DTXSID3060328
UNII
E5HY19G10P
EC Number
209-190-1
Nikkaji
J2.668I

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
5

Experimental & physicochemical properties

Kovats Retention Index · 2 items

698.1；698

686；694；699；715；694.5

Physicochemical properties

Melting point
38 °C · −38 °C(lit.)
Boiling point
99 · 99-100 °C(lit.)
Density
1.544 g/mL · 1.544 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.491(lit.)
Flash point
46 °F · 46 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.6%)；Aquatic Acute 1 (88.9%)

Safety data

F
8-10-23
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
TZ4251000
ridadr
UN 2391 3/PG 2

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropane, 2-iodo-2-methyl-: INACTIVE

Applications

Uses2-Iodo-2-methylpropane is used as a chemical reagent in organic synthesis. Further, it serves as a pharmaceutical intermediate.

General Description2-Iodo-2-methylpropane was degraded by reductive dehalogenation with nickel-aluminum alloy in potassium hydroxide solution.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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