Basic information
- CAS
73746-44-8- Standard SMILES
Cc1nc(I)c(I)[nH]1- InChIKey
WFEZOLYJPCODOA-UHFFFAOYSA-N- Molecular formula
- C4H4I2N2
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.84639
Names & identifiers
- Preferred name
- 4,5-Diiodo-2-methyl-1H-imidazole
- IUPAC
- 4,5-diiodo-2-methyl-1H-imidazole
- English name
- 4,5-Diiodo-2-methyl-1H-imidazole
- Molecular formula
- C4H4I2N2
- Molecular weight
- 333.9
Names & synonyms
4,5-Diiodo-2-methyl-1H-imidazole73746-44-8DTXSID80348119RefChem:285455DTXCID202991914,5-Diiodo-2-methylimidazoleMFCD00464337SCHEMBL585021Imidazole, 4,5-diiodo-2-methyl-FD7293ZB1443AKOS015853970
Show more names
4,5-diiodo-2-methyl-3H-imidazole1H-Imidazole, 4,5-diiodo-2-methyl-
4,5-Diiodo-2-methyl-1H-imidazole #AB06210AS-9162SY040765A9497AM20100712SCHEMBL28653632SBB054459
Database identifiers
- CAS
73746-44-8- PubChem CID
- 630554
- DTXSID
DTXSID80348119- EC Number
- 109-265-8
- Nikkaji
- J1.086.432A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.1
Physicochemical properties
- Melting point
- 194 · 194-195°C
- Boiling point
- 434.9 · 434.9±30.0 °C(Predicted)
- Density
- 2.75 · 2.750±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.87 · 9.87±0.10(Predicted)
- form
- solid
- InChI
- 1S/C4H4I2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)
- InChIKey
- WFEZOLYJPCODOA-UHFFFAOYSA-N
- SMILES
- Cc1nc(I)c(I)[nH]1
- CAS DataBase Reference
- 73746 · 73746-44-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933299090
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers60 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
扬州思域化工有限公司0514-87325867 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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