Basic information
- CAS
78597-27-0- Standard SMILES
Ic1ccc2nc[nH]c2c1- InChIKey
NQDPBRYGCUYBJM-UHFFFAOYSA-N- Molecular formula
- C7H5IN2
- Average molar mass
- 244.03 g/mol
- Monoisotopic mass
- 243.94975
Names & identifiers
- Preferred name
- 5-iodo-1H-1,3-benzodiazole
- IUPAC
- 6-iodo-1H-benzimidazole
- English name
- 5-Iodo-1H-benzimidazole
- Molecular formula
- C7H5IN2
- Molecular weight
- 244.03
Names & synonyms
5-IODO-1H-1,3-BENZODIAZOLERefChem:536311892-134-96-Iodo-1H-benzo[d]imidazole78597-27-05-iodo-1h-benzimidazole6-iodo-1H-benzimidazole6-IodobenzimidazoleMFCD131852245-IODO-1H-BENZO[D]IMIDAZOLESCHEMBL4740274DTXSID70563556
Show more names
5-Iodobenzimidazole5(6)-iodobenziMidazole1H-BenziMidazole,6-iodo5-Iodo-1H-benzoimidazole5-Iodo-1H-benzimidazole97%5(6)-IODO-1H-BENZIMIDAZOLE
AKOS016007350AMY12120benzimidazole, 5(6)-iodo-SCHEMBL47402776-Iodo-1H-1,3-benzimidazoleSCHEMBL27510845SCHEMBL27923271SCHEMBL31053842
Database identifiers
- CAS
78597-27-0- PubChem CID
- 14745409
- DTXSID
DTXSID70563556- EC Number
- 892-134-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 438.5 · 438.5±18.0 °C(Predicted)
- Density
- 2.082 · 2.082±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder
- pka
- 11.39 · 11.39±0.30(Predicted)
- color
- Faint lemon
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers64 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海览辉科技有限公司15921634331 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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