Butyrohydrazide

HCID 77079CAS 3538-65-6

Substructure search Find similar structures

Basic information

Standard SMILES: CCCC(=O)NN
InChIKey: FCCCRBDJBTVFSJ-UHFFFAOYSA-N
Molecular formula: C4H10N2O
Average molar mass: 102.14 g/mol
Monoisotopic mass: 102.07931294

Names & identifiers

Preferred name: Butyrohydrazide
IUPAC: butanehydrazide
English name: Butyric acid hydrazide
Molecular formula: C4H10N2O
Molecular weight: 102.14

Names & synonyms

Butyric acid hydrazideButyrohydrazideButyrylhydrazineEINECS 222-579-0DTXSID70188869NSC 24021NSC 41957RefChem:571898DTXCID80111360222-579-03538-65-6butanehydrazide

Show more names

Kylar(Uniroyal)Butyricacidhydrazide,95%butanohydrazide(SALTDATA: FREE)

butanoic acid hydrazideButanoic acid, hydrazideButanohydrazideMFCD00025135n-Butyric acid hydrazideNSC-24021NSC-41957Butyricacidhydrazide

Database identifiers

CAS: 3538-65-6
PubChem CID: 77079
DTXSID: DTXSID70188869
ChEMBL: CHEMBL4458461
UNII: EH7DJJ4GUV
EC Number: 222-579-0
Nikkaji: J216.183D

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 62.7

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 46 · 46-49°C
Boiling point: 120 °C · 120°C 10mm
Density: 1.0739 · 1.0739 (rough estimate)
refractive index: 1.452 · 1.4520 (estimate)
Flash point: 120 °C/10mm · 120°C/10mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 13.53 · 13.53±0.18(Predicted)
Appearance: White to off-white Solid
BRN: 635863 · 635863
CAS DataBase Reference: 3538 · 3538-65-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 23 · 23-26-36/37/39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (90.5%): 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 74 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (90.5%)

Safety data

risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 23-26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c