Trifluoroacetyl Hydrazide - CAS 1538-08-5

Catalog:	BB010938
Product Name:	Trifluoroacetyl Hydrazide
CAS:	1538-08-5
Synonyms:	2,2,2-trifluoroacetohydrazide; 2,2,2-trifluoroacetohydrazide

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoroacetohydrazide
Description:	Trifluoroacetyl Hydrazide (CAS# 1538-08-5) is a useful research chemical.
Molecular Weight:	128.05
Molecular Formula:	C2H3F3N2O
Canonical SMILES:	C(=O)(C(F)(F)F)NN
InChI:	InChI=1S/C2H3F3N2O/c3-2(4,5)1(8)7-6/h6H2,(H,7,8)
InChI Key:	OFUCCBIWEUKISP-UHFFFAOYSA-N
Boiling Point:	192.3 °C at 760 mmHg
Density:	1.462 g/cm³
MDL:	MFCD00221440
LogP:	0.62980

Publication Number	Title	Priority Date
CN-113307778-A	Preparation method of 3-trifluoromethyl substituted 1,2, 4-triazole compound	20210609
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CN-112221451-A	Low-temperature reaction device for preparing sitagliptin phosphate intermediate	20201019
CN-112979564-A	Preparation method of sitagliptin intermediate	20191202
CN-112778330-A	Pyridone-containing polycyclic derivative inhibitor, and preparation method and application thereof	20191105

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	97.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.01974721
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.01974721
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1