3,5-Bis(trifluoromethyl)benzohydrazide
Basic information
- CAS
26107-82-4- Standard SMILES
NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
GBBRFBSFWKFTMZ-UHFFFAOYSA-N- Molecular formula
- C9H6F6N2O
- Average molar mass
- 272.15 g/mol
- Monoisotopic mass
- 272.03843179
Names & identifiers
- Preferred name
- 3,5-Bis(trifluoromethyl)benzohydrazide
- IUPAC
- 3,5-bis(trifluoromethyl)benzohydrazide
- English name
- 3,5-Bis(trifluoromethyl)benzhydrazide
- Molecular formula
- C9H6F6N2O
- Molecular weight
- 272.15
Names & synonyms
26107-82-43,5-Bis(trifluoromethyl)benzohydrazide3,5-Bis(trifluoromethyl)benzhydrazideBenzoic acid, 3,5-bis(trifluoromethyl)-, hydrazide3,5-di(Trifluoromethyl)benzhydrazideJ92JC3W3WNEINECS 247-462-1NSC-278176DTXSID80180738NSC 278176RefChem:91383DTXCID20103229
Show more names
BUTTPARK 35\03-783,5-Bis(trifluoromethyl)benzhydrazide,98%5-Bis-trifluoroMethylbenzoic acid hydrazide3,5-DI(TRIFLUOROMETHYL)BENZOIC ACID HYDRAZIDE3,5-DI(TRIFLUOROMETHYL)BENZENE-1-CARBOHYDRAZIDE
247-462-1GBBRFBSFWKFTMZ-UHFFFAOYSA-N3,5-Bis(trifluoromethyl)benzoic acid hydrazideMFCD000518483,5-Bis(trifluoromethyl)benzoylhydrazine3,5-Bis(trifluoromethyl)benzoyl hydrazide3,5-bis-trifluoromethylbenzoic acid hydrazideNSC278176
Database identifiers
- CAS
26107-82-4- PubChem CID
- 100265
- DTXSID
DTXSID80180738- UNII
- J92JC3W3WN
- EC Number
- 247-462-1
- Nikkaji
- J267.235I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 131 · 131-135 °C
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 11.21 · 11.21±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 2596448 · 2596448
- CAS DataBase Reference
- 26107 · 26107-82-4(CAS DataBase Reference)
- FDA UNII
- 92 JC3W3WN · J92JC3W3WN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HazardClass
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
H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29280090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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