CAS 515-96-8 Oxamic acid hydrazide (HCID 68200)

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Basic information

CAS: 515-96-8
Standard SMILES: NNC(=O)C(N)=O
InChIKey: MOKRDWKSHLLYKM-UHFFFAOYSA-N
Molecular formula: C2H5N3O2
Average molar mass: 103.08 g/mol
Monoisotopic mass: 103.03817641

Names & identifiers

Preferred name: Oxamic acid hydrazide
IUPAC: 2-hydrazinyl-2-oxoacetamide
English name: Oxamic hydrazide
Molecular formula: C2H5N3O2
Molecular weight: 103.08

Names & synonyms

Oxamic acid hydrazideRefChem:182351Oxamic hydrazide515-96-82-hydrazinyl-2-oxoacetamideSemioxamazideAminooxamideSemioxamazid2-Hydrazino-2-oxoacetamideN-AminooxamideOxamic acid, hydrazide1-(hydrazinecarbonyl)formamide

Show more names

OxamicHydrazide>Oxamic hydrazide,99%OXAMIC HYDRAZIDE 98%LABOTEST-BB LT00848024

2-Hydrazino-2-oxo-acetamideCarbamoylformic acid hydrazideMFCD00008004Amino-oxamideUNII-BET2UBD6NVAcetic acid, aminooxo-, hydrazideEINECS 208-213-2BET2UBD6NV

Database identifiers

CAS: 515-96-8
PubChem CID: 68200
DTXSID: DTXSID00199483
UNII: BET2UBD6NV
EC Number: 208-213-2
Nikkaji: J6.301K

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 98.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 99

Physicochemical properties

Melting point: 216 · 216-218 °C (dec.)(lit.)
Boiling point: 193.27 °C · 193.27°C (rough estimate)
Density: 1.5048 · 1.5048 (rough estimate)
refractive index: 1.4264 · 1.4264 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
pka: 10.72 · 10.72±0.20(Predicted)
form: Powder
color: White
Merck: 14 · 14,8445
InChI: InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7)
InChIKey: MOKRDWKSHLLYKM-UHFFFAOYSA-N
SMILES: C(NN)(=O)C(N)=O
CAS DataBase Reference: 515 · 515-96-8(CAS DataBase Reference)
FDA UNII: 2 UBD6NV · BET2UBD6NV
Symbol(GHS): 2 · GHS02
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Safety data

wgk: 3
rtecs: AF2620000
ridadr: UN 2811 6.1/PG 3
hs_code: 29280000
Toxicity: LDLo ipr-mus: 185 mg/kg JPETAB 122,110,1958
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: T
safety_code: 36/37/39-45-24/25
hazard_class: 4.1
packing_group: III
Hazard statements: H228
Limited Quantities: 5.0 Kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)