Basic information
- CAS
1354705-41-1- Standard SMILES
CC(C)(C)n1cc(I)cn1- InChIKey
ZSBPKSWLKACLRO-UHFFFAOYSA-N- Molecular formula
- C7H11IN2
- Average molar mass
- 250.08 g/mol
- Monoisotopic mass
- 249.9967
Names & identifiers
- Preferred name
- 1-tert-butyl-4-iodo-1H-pyrazole
- IUPAC
- 1-tert-butyl-4-iodopyrazole
- English name
- 1-tert-Butyl-4-iodo-1H-pyrazole
- Molecular formula
- C7H11IN2
- Molecular weight
- 250.08
Names & synonyms
1-tert-butyl-4-iodo-1H-pyrazole1354705-41-11-(tert-Butyl)-4-iodo-1H-pyrazole1-tert-butyl-4-iodopyrazoleMFCD223786211-t-Butyl-4-iodo-1H-pyrazole1-tert-butyl-4-iodo-pyrazole1-(tert-butyl)-4-iodopyrazoleSCHEMBL15885064DTXSID401277529EEC70541SBB074012
Show more names
1H-Pyrazole, 1-(1,1-dimethylethyl)-4-iodo-
AKOS015920863AT15801SB12178DB-1617751-(1,1-Dimethylethyl)-4-iodo-1H-pyrazoleCS-0183437EN300-108656F624701
Database identifiers
- CAS
1354705-41-1- PubChem CID
- 60136645
- DTXSID
DTXSID401277529- EC Number
- 172-643-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 255.2 · 255.2±13.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 0.41 · 0.41±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司18455579438
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
安徽乐雍生物科技有限公司15055708011 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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