CAS 22227-25-4 3-(Trifluoromethyl)benzoic acid hydrazide (HCID 2777417)

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Basic information

CAS: 22227-25-4
Standard SMILES: NNC(=O)c1cccc(C(F)(F)F)c1
InChIKey: HGUSYNBASYGAMC-UHFFFAOYSA-N
Molecular formula: C8H7F3N2O
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.0510475

Names & identifiers

Preferred name: 3-(Trifluoromethyl)benzoic acid hydrazide
IUPAC: 3-(trifluoromethyl)benzohydrazide
English name: 3-(Trifluoromethyl)benzoic acid hydrazide
Molecular formula: C8H7F3N2O
Molecular weight: 204.15

Names & synonyms

3-(Trifluoromethyl)benzoic acid hydrazideRefChem:496376630-265-33-(trifluoromethyl)benzohydrazide22227-25-43-(trifluoromethyl)benzhydrazideMFCD002214763-(trifluoromethyl)benzene-1-carbohydrazide1-(trifluoromethyl)benzene-3-carbohydrazide9U5TDW2YHRBenzoic acid, 3-(trifluoromethyl)-, hydrazideSCHEMBL1127884

Show more names

BUTTPARK 30\01-473-(Trifluoromethyl)benzoicacidhydrazide95%3-(Triflouromethyl)benzoic acid hydrazide3-(Trifluoromethyl)benzoic acid hydrazide 95%3-(Trifluoromethyl)benzene-1-carbohydrazide, 95+%

SCHEMBL5759254SCHEMBL29646460DTXSID80380514SBB0177643-trifluoromethylbenzoic acid hydrazideAKOS000150267AS-8768SB85913

Database identifiers

CAS: 22227-25-4
PubChem CID: 2777417
DTXSID: DTXSID80380514
UNII

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

Melting point: 111 °C · 111 °C
Density: 1.356 · 1.356±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: solid
pka: 11.93 · 11.93±0.10(Predicted)
color: Off-white
CAS DataBase Reference: 22227 · 22227-25-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2928009090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501