2-Propanone, hydrazone

HCID 78937

Notes Reactions

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Basic information

CAS: 5281-20-9
Standard SMILES: CC(C)=NN
InChIKey: JIQXKYSNGXUDJU-UHFFFAOYSA-N
Molecular formula: C3H8N2
Average molar mass: 72.11 g/mol
Monoisotopic mass: 72.06874826

Overview

inhibits photosynthetic water oxidation

Names & identifiers

Preferred name: 2-Propanone, hydrazone
IUPAC: propan-2-ylidenehydrazine
English name: acetone hydrazone
Molecular formula: C3H8N2
Molecular weight: 72.11

Names & synonyms

Acetone hydrazone5281-20-92-Propanone, hydrazoneacehRefChem:108996226-110-0propan-2-ylidenehydrazineIsopropylidene hydrazine(Propan-2-ylidene)hydrazineIsopropylidenehydrazineisopropylidene-hydrazineFormaldehyde 2,2-dimethylhydrazone; NSC 516745

Show more names

2-Propanone, hydrazone(9CI)2-(2-oxanyloxy)-1,2-diphenylethanonepropan-2-ylidenehydrazinepropanone -2- Nitrosoniumhydrazine

2-Propanone hydrazoneEINECS 226-110-0MFCD13180488propan-2-one hydrazoneSCHEMBL761989SCHEMBL1728001SCHEMBL4647794DTXSID10967276

Database identifiers

CAS: 5281-20-9
PubChem CID: 78937
DTXSID: DTXSID10967276
EC Number: 226-110-0
Nikkaji: J27.086E

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 38.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 42.9

Physicochemical properties

Melting point: 128 °C · 128 °C
Boiling point: 115 · 115-120 °C
Density: 0.9 · 0.90±0.1 g/cm3(Predicted)
pka: 4.82 · 4.82±0.70(Predicted)
form: 22 D · n22D 1.4607, colorless liquid, bp 124-125 °C
Symbol(GHS): 8 · GHS08,GHS02,GHS05,GHS09,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H331-H226-H314-H311-H411-H351
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS02,GHS05,GHS09,GHS06
Hazard statements: H301-H331-H226-H314-H311-H411-H351
Precautionary statements: P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501