Basic information
- CAS
15813-07-7- Standard SMILES
Cc1[nH]cnc1I- InChIKey
YKQGANWRJDKVAD-UHFFFAOYSA-N- Molecular formula
- C4H5IN2
- Average molar mass
- 208 g/mol
- Monoisotopic mass
- 207.94974616
Names & identifiers
- Preferred name
- 4-Iodo-5-methyl-1H-imidazole
- IUPAC
- 4-iodo-5-methyl-1H-imidazole
- English name
- 5(4)-Iodo-4(5)-methyl-imidazole
- Molecular formula
- C4H5IN2
- Molecular weight
- 208
Names & synonyms
15813-07-74-Iodo-5-methyl-1H-imidazoleDTXSID60346193RefChem:524214DTXCID50297266812-198-35-Iodo-4-methyl-1H-imidazole5(4)-Iodo-4(5)-methyl-imidazole4-iodo-5-methylimidazole1H-Imidazole, 5-iodo-4-methyl-MFCD077838944-iodo-5-methyl-imidazole
Show more names
4-Monojod-5-methylimidazolSCHEMBL642527Imidazole, 4-iodo-5-methyl-MFCD24396002SCHEMBL3669948SCHEMBL73884274-Iodo-5-methyl-1H-imidazole #AKOS015910009
Database identifiers
- CAS
15813-07-7- PubChem CID
- 610310
- DTXSID
DTXSID60346193- EC Number
- 812-198-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.7
Physicochemical properties
- Boiling point
- 349.9 · 349.9±22.0 °C(Predicted)
- Density
- 2.094 · 2.094±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 12.4 · 12.40±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C4H5IN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
- InChIKey
- YKQGANWRJDKVAD-UHFFFAOYSA-N
- SMILES
- C1NC(I)=C(C)N=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers48 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
4 records
Compound notes
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