2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride
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Basic information
- CAS
55458-67-8- Standard SMILES
Cc1cc(C(=O)Cl)n(C)n1- InChIKey
ZIAPGUFDEJWQHC-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.02469052
Names & identifiers
- Preferred name
- 2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride
- IUPAC
- 2,5-dimethylpyrazole-3-carbonyl chloride
- English name
- 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride
- Molecular formula
- C6H7ClN2O
- Molecular weight
- 158.59
Names & synonyms
2,5-dimethyl-2h-pyrazole-3-carbonyl chlorideRefChem:444525673-138-81,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-82,5-dimethylpyrazole-3-carbonyl chloride1,3-Dimethylpyrazole-5-carbonyl chlorideMFCD008332581,3-dimethyl-1H-pyrazole-5-carbonylchloride1,3-dimethylpyrazole-5-carboxylic acid chloride1H-Pyrazole-5-carbonyl chloride, 1,3-dimethyl-SCHEMBL387324
Show more names
BUTTPARK 37\06-97TIMTEC-BB SBB0054761,3-Dimethylpyrazole-5-carbonylhloride2,5-dimethyl-3-pyrazolecarbonyl chloride3-diMethyl-1H-pyrazole-5-carbonyl chloride1,3-Dimethyl-1H-pyrazol-5-carbonyl chloride
1,3 - Dimethyl - 1H - pyrazole - 5 - carbonyl chlorideDTXSID50371257ZIAPGUFDEJWQHC-UHFFFAOYSA-NALBB-031404STR07588SBB005476AKOS006230224BP-10856
Database identifiers
- CAS
55458-67-8- PubChem CID
- 2736299
- DTXSID
DTXSID50371257- EC Number
- 673-138-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 80 °C · 80°C 15mm
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 0.33 · 0.33±0.10(Predicted)
- form
- solid
- color
- Brown
- CAS DataBase Reference
- 55458 · 55458-67-8(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-EUH029
- Precautionary statements
- 260 · P260-P271
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- Hazard Note
- Irritant/Corrosive
- HazardClass
- IRRITANT
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3261
- hs_code
- 29331990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant/Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Hazard statements
- H314-EUH029
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
151 records
Compound notes
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