CAS 934171-99-0 3,3,3-Trifluoropropanehydrazide (HCID 16786607)

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Basic information

CAS: 934171-99-0
Standard SMILES: NNC(=O)CC(F)(F)F
InChIKey: SIBFPPHRYSRRKB-UHFFFAOYSA-N
Molecular formula: C3H5F3N2O
Average molar mass: 142.08 g/mol

Names & identifiers

Preferred name: 3,3,3-Trifluoropropanehydrazide
IUPAC: 3,3,3-trifluoropropanehydrazide
English name: 3,3,3-trifluoropropanehydrazide
Molecular formula: C3H5F3N2O
Molecular weight: 142.08

Names & synonyms

3,3,3-trifluoropropanehydrazide934171-99-0RefChem:485089822-207-2MFCD097333653,3,3-Trifluoro-propionic acid hydrazideSCHEMBL2038041JMB17199AKOS000139832DB-330861CS-0250288EN300-50335

Show more names

Propanoic acid, 3,3,3-trifluoro-, hydrazideF74598F664695

Database identifiers

CAS: 934171-99-0
PubChem CID: 16786607
EC Number: 822-207-2

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 110

Physicochemical properties

Boiling point: 207.7 · 207.7±40.0 °C(Predicted)
Density: 1.365 · 1.365±0.06 g/cm3(Predicted)
pka: 11.77 · 11.77±0.18(Predicted)
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 335 · H335-H351-H319-H315-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS08
Hazard statements: H335-H351-H319-H315-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501