CAS 140-87-4 Cyanoacetic acid hydrazide (HCID 8820)

Names & identifiers

Preferred name: Cyanoacetic acid hydrazide
IUPAC: 2-cyanoacetohydrazide
English name: Cyanoacetohydrazide
Molecular formula: C3H5N3O
Molecular weight: 99.09

Names & synonyms

140-87-4CyacetacideCyacetazideCyanoacetic acid hydrazideDictyzideHidacianMackreazidArmazalCyazideReacidReazideCianazil

Show more names

2-CYANOACETOHYDRAZIDEAB-42Reazidbenecid

CyanazideCyanizideDictycideNeohydrazidCyazidHelmoxLeandinTsiazid

Database identifiers

CAS: 140-87-4
PubChem CID: 8820
DTXSID: DTXSID9046572
ChEMBL: CHEMBL2106008
UNII: 40H59YCS67
EC Number: 205-437-2
Nikkaji: J5.795I

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 111

Physicochemical properties

Melting point: 108 · 108-110 °C (lit.)
Boiling point: 185.55 °C · 185.55°C (rough estimate)
Density: 1.3131 · 1.3131 (rough estimate)
refractive index: 1.45 · 1.4500 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: 150 mg/mL · DMSO : 150 mg/mL (1513.78 mM)
form: powder to crystal
pka: 1 · pK1:2.34(+2);pK2:11.17(+1) (25°C)
color: White to Light yellow to Light orange
Water Solubility: almost transparency
Merck: 14 · 14,2680
BRN: 1751498 · 1751498
InChI: InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)
InChIKey: HPHBOJANXDKUQD-UHFFFAOYSA-N
SMILES: C(NN)(=O)CC#N
CAS DataBase Reference: 140 · 140-87-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 40 H59YCS67 · 40H59YCS67
NIST Chemistry Reference: Alpha-cyanoacetic acid, hydrazide(140-87-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-28-36/37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 4200000 · AG4200000
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29280090 · 29280090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Hazardous Substances Data: 140 · 140-87-4(Hazardous Substances Data)
Toxicity: 50 · mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),National Technical Information Service. Vol. AD277-689,

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: AG4200000
ridadr: UN 2811 6.1/PG 3
hs_code: 29280090
Toxicity: mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),National Technical Information Service. Vol. AD277-689,
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-28-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazardous Substances Data: 140-87-4(Hazardous Substances Data)

Chemistry & industry

Applications

Uses2-Cyanoacetohydrazide is used in the study of the viral inhibiting activity of some potential antiviral agents.

Preparation methods

PreparationCyanoacetic acid hydrazide was obtained by careful addition of hydrazine hydrate to ethyl cyanoacetate in ethanol with stirring at 0°C.[1]