CAS 20605-41-8 2-Methoxyacetohydrazide (HCID 2759532)

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Basic information

CAS: 20605-41-8
Standard SMILES: COCC(=O)NN
InChIKey: XEPXDMNZXBUSOI-UHFFFAOYSA-N
Molecular formula: C3H8N2O2
Average molar mass: 104.11 g/mol
Monoisotopic mass: 104.0585775

Names & identifiers

Preferred name: 2-Methoxyacetohydrazide
IUPAC: 2-methoxyacetohydrazide
English name: METHOXYACETIC ACID HYDRAZIDE
Molecular formula: C3H8N2O2
Molecular weight: 104.11

Names & synonyms

2-methoxyacetohydrazide20605-41-8Acetic acid, 2-methoxy-, hydrazideDTXSID50374824RefChem:474545DTXCID30325854670-615-2Methoxyacetic acid hydrazideMFCD02197887methoxyacetohydrazideAcetic acid, methoxy-, hydrazideacetohydrazide, 2-methoxy-

Show more names

AKOS B015437ART-CHEM-BB B0154372-methoxyethanehydrazide

Oprea1_377226SCHEMBL3147952-methoxyacetic acid hydrazideXEPXDMNZXBUSOI-UHFFFAOYSA-NALBB-002746BBL013411SBB021113STK346606

Database identifiers

CAS: 20605-41-8
PubChem CID: 2759532
DTXSID: DTXSID50374824
EC Number: 670-615-2
Nikkaji: J2.748.435B

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 64

Physicochemical properties

Melting point: 58 · 58-59°C
Boiling point: 271.5 · 271.5±23.0 °C(Predicted)
Density: 1.107 · 1.107±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: Solid
pka: 12.29 · 12.29±0.18(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 20605 · 20605-41-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Methoxyacetohydrazide is used in preparation of Benzylaminopyrazolopyrimidinone derivatives and analogs for use as DNA polymerase IIIC inhibitors.