Basic information
- CAS
824431-97-2- Standard SMILES
Cc1nc(I)cn1CC(F)(F)F- InChIKey
GGSVXDGOBFDIRX-UHFFFAOYSA-N- Molecular formula
- C6H6F3IN2
- Average molar mass
- 290.02 g/mol
- Monoisotopic mass
- 289.95278
Names & identifiers
- Preferred name
- 4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
- IUPAC
- 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)imidazole
- English name
- 4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
- Molecular formula
- C6H6F3IN2
- Molecular weight
- 290.02
Names & synonyms
824431-97-24-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazoleDTXSID80621191RefChem:293519DTXCID80571945843-867-81H-Imidazole, 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)-4-IODO-2-METHYL-1-(2,2,2-TRIFLUOROETHYL)IMIDAZOLE4-Iodo-2-methyl-1-(2,2,2-trifluoro-ethyl)-1H-imidazoleSCHEMBL2380058ZHB43197MFCD27929281
Show more names
DB-229159CS-0376963F83907EN300-4518115F760866A1-10914
Database identifiers
- CAS
824431-97-2- PubChem CID
- 21985398
- DTXSID
DTXSID80621191- EC Number
- 843-867-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 280 · 280.0±40.0 °C(Predicted)
- Density
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.22 · 4.22±0.60(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H319-H335-H315-H302-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H319-H335-H315-H302-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers9 total
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安瑞芬达生物技术有限公司19929974101 //1144079830; 19929974101 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
6 records
Compound notes
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