Basic information
- CAS
1426424-00-1- Standard SMILES
Ic1n[nH]c2c1CCC2- InChIKey
VDMYDFPQXAWWLE-UHFFFAOYSA-N- Molecular formula
- C6H7IN2
- Average molar mass
- 234.04 g/mol
- Monoisotopic mass
- 233.9654
Names & identifiers
- Preferred name
- 3-Iodo-1,4,5,6-tetrahydrocyclopenta[C]pyrazole
- IUPAC
- 3-iodo-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
- English name
- 3-iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole
- Molecular formula
- C6H7IN2
- Molecular weight
- 234.04
Names & synonyms
1426424-00-13-IODO-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE3-iodo-1H,4H,5H,6H-cyclopenta[c]pyrazoleMFCD26406995cyclopentapyrazole, 1,4,5,6-tetrahydro-3-iodo-SCHEMBL14737141VDMYDFPQXAWWLE-UHFFFAOYSA-NAKOS027251981SB18649AS-42293SY099665DB-092845
Show more names
CS-0051331F333213
Database identifiers
- CAS
1426424-00-1- PubChem CID
- 71279477
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 359.1 · 359.1±42.0 °C(Predicted)
- Density
- 2.086 · 2.086±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 12.71 · 12.71±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers28 total
南京优氟医药科技有限公司025-86755008 17751752005 · [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]
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]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
Related reactions
2 records
Compound notes
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