4,5-Diiodo-1-methyl-1H-imidazole

HCID 332387
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Basic information

CAS
37067-96-2
Standard SMILES
Cn1cnc(I)c1I
InChIKey
LFQKCAODRSVYMI-UHFFFAOYSA-N
Molecular formula
C4H4I2N2
Average molar mass
333.9 g/mol
Monoisotopic mass
333.84639

Names & identifiers

Preferred name
4,5-Diiodo-1-methyl-1H-imidazole
IUPAC
4,5-diiodo-1-methylimidazole
English name
4,5-Diiodo-1-methyl-1H-imidazole
Molecular formula
C4H4I2N2
Molecular weight
333.9

Names & synonyms

4,5-diiodo-1-methyl-1H-imidazole37067-96-2DTXSID50318344RefChem:507782DTXCID90269467812-092-74,5-diiodo-1-methylimidazoleMFCD030013364,5-diiodo-1-methyl-imidazoleNSC3291181H-Imidazole, 4,5-diiodo-1-methyl-1-methyl-4,5-diiodoimidazole
Show more names
SKL5331-Methyl-4,5-diiodo-1h-imidazole
SCHEMBL4801074MBA06796AKOS005256080AB12801NSC 329118NSC-329118SY139269VS-09450

Database identifiers

CAS
37067-96-2
PubChem CID
332387
DTXSID
DTXSID50318344
EC Number
812-092-7
Nikkaji
J982.911C

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
142 · 142-143°C
Boiling point
382.2 · 382.2±27.0 °C(Predicted)
Density
2.83 · 2.83±0.1 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Sealed in dry,2-8°C
form
solid
pka
2.79 · 2.79±0.61(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, 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.

Safety data

hs_code
2933299090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers54 total

上海康恩博医药科技有限公司17510465506 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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