Basic information
- CAS
88398-42-9- Standard SMILES
Cc1c(S(=O)(=O)Cl)c(C(F)(F)F)nn1C- InChIKey
SPJVLXRHVVOZDR-UHFFFAOYSA-N- Molecular formula
- C6H6ClF3N2O2S
- Average molar mass
- 262.64 g/mol
- Monoisotopic mass
- 261.97906077
Names & identifiers
- Preferred name
- 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
- IUPAC
- 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
- English name
- 1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole-4-sulfonyl chloride
- Molecular formula
- C6H6ClF3N2O2S
- Molecular weight
- 262.64
Names & synonyms
88398-42-91,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chlorideDTXSID50597096RefChem:221329DTXCID70547856859-894-3MFCD094147371,5-DIMETHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-SULFONYL CHLORIDE1H-Pyrazole-4-sulfonyl chloride, 1,5-dimethyl-3-(trifluoromethyl)-1,5-Dimethyl-3-trifluoromethyl-1H-pyrazole-4-sulfonyl chlorideSCHEMBL8762829NDA39842
Show more names
SBB055036AKOS024302246SY077987EN300-232938G69181F067913[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]chlorosulfone1,5-Dimethyl-3-(trifluoromethyl)--4-pyrazolesulfonyl chloride
Database identifiers
- CAS
88398-42-9- PubChem CID
- 18981663
- DTXSID
DTXSID50597096- EC Number
- 859-894-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 306.6 · 306.6±42.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- -5.72 · -5.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers10 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
3 records
Compound notes
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