Basic information
- CAS
1535968-74-1- Standard SMILES
Cc1[nH]n(C)c(=O)c1Br- InChIKey
YLKIBPZYSQAPTH-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2O
- Average molar mass
- 191.03 g/mol
- Monoisotopic mass
- 189.97418
Names & identifiers
- Preferred name
- 4-bromo-1,3-dimethyl-1H-pyrazol-5-ol
- IUPAC
- 4-bromo-2,5-dimethyl-1H-pyrazol-3-one
- English name
- 4-bromo-1,3-dimethyl-1H-pyrazol-5-ol
- Molecular formula
- C5H7BrN2O
- Molecular weight
- 191.03
Names & synonyms
4-bromo-1,3-dimethyl-1H-pyrazol-5-ol1535968-74-1RefChem:518837973-201-24-bromo-2,5-dimethyl-1H-pyrazol-3-oneKLC96874MFCD23843032AKOS018705528SY367171EN300-2219144-bromo-1,3-dimethyl-1H-pyrazol-5-o4-Bromo-1,3-dimethyl-1H-pyrazole-5-ol
Show more names
1H-Pyrazol-5-ol, 4-bromo-1,3-dimethyl-
Database identifiers
- CAS
1535968-74-1- PubChem CID
- 14711366
- EC Number
- 973-201-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 246.4 · 246.4±35.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 7.66 · 7.66±0.33(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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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