2-Methoxyisobutyl isonitrile

HCID 130600
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Basic information

CAS
109434-22-2
Standard SMILES
[C-]#[N+]CC(C)(C)OC
InChIKey
LJJFNFYPZOHRHM-UHFFFAOYSA-N
Molecular formula
C6H11NO
Average molar mass
113.16 g/mol
Monoisotopic mass
113.08406397

Overview

See also: Technetium Tc 99m sestamibi [USAN:USP:INN:BAN] (annotation moved to); Technetium (annotation moved to); Technetium Tc 99m sestamibi (annotation moved to).

Names & identifiers

Preferred name
2-Methoxyisobutyl isonitrile
IUPAC
1-isocyano-2-methoxy-2-methylpropane
English name
2-METHOXYISOBUTYL ISOCYANIDE
Molecular formula
C6H11NO
Molecular weight
113.16

Names & synonyms

109434-22-22-Methoxyisobutylisonitrile2-methoxyisobutyl isonitrile2K3X4G63S7RP-30DTXSID20148933RefChem:910018DTXCID90714241-isocyano-2-methoxy-2-methylpropaneMIBI1-ISOCYANO-2-METHOXY-2-METHYL-PROPANEMFCD08061485
Show more names
SestamibiMethoxyisobutylisonitrile2-Methyl-2-methoxypropyl isocyanidePROPANE, 1-ISOCYANO-2-METHOXY-2-METHYL-2-Methoxyisobutylisonitrile (MIBI), 98 %
UNII-2K3X4G63S7SCHEMBL2920182-methoxy-isobutyl-isoni-trileorb3181716LJJFNFYPZOHRHM-UHFFFAOYSA-N2-METHOXYISOBUTYL ISOCYANIDE2-Methoxyisobutylisonitrile (MIBI)AKOS006285965

Database identifiers

CAS
109434-22-2
PubChem CID
130600
DTXSID
DTXSID20148933
UNII
2K3X4G63S7
EC Number
811-577-0
Nikkaji
J227.551A

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
13.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
8

Physicochemical properties

FDA UNII
2 K3X4G63S7 · 2K3X4G63S7

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Chemistry & industry

Applications

Uses1-Isocyano-2-methoxy-2-methyl-propane is a ligand used in Technetium (99mTc) sestamibi for nuclear medicine imaging.

Upstream & downstream products

Suppliers13 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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