3,5-Bis(trifluoromethyl)benzenesulphonylguanidine
Basic information
- CAS
175136-69-3- Standard SMILES
NC(N)=NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
WTARQWCVVSWPSK-UHFFFAOYSA-N- Molecular formula
- C9H7F6N3O2S
- Average molar mass
- 335.23 g/mol
- Monoisotopic mass
- 335.01631662
Names & identifiers
- Preferred name
- 3,5-Bis(trifluoromethyl)benzenesulphonylguanidine
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine
- English name
- 3,5-Bis(trifluoromethyl)benzenesulfonyl guanidine
- Molecular formula
- C9H7F6N3O2S
- Molecular weight
- 335.23
Names & synonyms
175136-69-33,5-Bis(trifluoromethyl)benzenesulphonylguanidine3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONYL GUANIDINE2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidineN-Carbamimidoyl-3,5-bis(trifluoromethyl)benzenesulfonamideMFCD00052228CDS1_000703([AMINO(IMINO)METHYL]AMINO)[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIOXO-LAMBDA6-SULFANE HYDRATEMaybridge1_002991DivK1c_001743WTARQWCVVSWPSK-UHFFFAOYSA-NAKOS015912131
Show more names
3,5-Bis(trifluoromethyl)Benzenesulphonylguanidine95+%Benzenesulfonamide, N-(aminoiminomethyl)-3,5-bis(trifluoromethyl)-2-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylguanidine
DB-044037ST510415893,5-Bis(trifluoromethyl)benzene sulphonyl guanidineamino{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}carboxamidineN-(diaminomethylene)-3,5-bis(trifluoromethyl)benzenesulfonamide
Database identifiers
- CAS
175136-69-3- PubChem CID
- 2736109
- EC Number
- 671-975-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 194 °C · 194 °C
- Boiling point
- 337.1 · 337.1±52.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 10.22 · 10.22±0.70(Predicted)
- CAS DataBase Reference
- 175136 · 175136-69-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315-H312-H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 2935909099 · 2935909099
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2935909099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H302-H319-H335-H315-H312-H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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