Acetohydrazide

HCID 14039
NotesReactions
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Basic information

CAS
1068-57-1
Standard SMILES
CC(=O)NN
InChIKey
OFLXLNCGODUUOT-UHFFFAOYSA-N
Molecular formula
C2H6N2O
Average molar mass
74.08 g/mol
Monoisotopic mass
74.04801282

Names & identifiers

Preferred name
Acetohydrazide
IUPAC
acetohydrazide
English name
Acethydrazide
Molecular formula
C2H6N2O
Molecular weight
74.08

Names & synonyms

AcethydrazideAcetohydrazide1068-57-1AcetylhydrazineAcetic hydrazideAcetyl hydrazideMonoacetylhydrazineEthanehydrazonic acidN-AcetylhydrazineHydrazine, acetyl-ENT-61241acethydrazine
Show more names
374AcetohydrazidAcetyl drazide
SK0DPC9098NSC-2271NSC-53155CHEBI:2422acetylhydrazideRefChem:552505213-948-7Acetic acid hydrazide

Database identifiers

CAS
1068-57-1
PubChem CID
14039
DTXSID
DTXSID9020900
ChEMBL
CHEMBL3091859
ChEBI
CHEBI:2422
UNII
SK0DPC9098
EC Number
213-948-7
Nikkaji
J7.446B

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5

Physicochemical properties

Melting point
58 · 58-68 °C (lit.)
Boiling point
129 °C/18 · 129 °C/18 mmHg (lit.)
Density
1.0968 · 1.0968 (rough estimate)
refractive index
1.4264 · 1.4264 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (54.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (41.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (67.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (67.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (32.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H341 (54.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H351 (55.8%): Suspected of causing cancer [Warning Carcinogenicity]；H400 (32.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (32.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (32.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Regulatory Information · 2 items

Status: Active Update: 05-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23789

Acetohydrazide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (54.7%)；Acute Tox. 4 (41.9%)；Skin Irrit. 2 (67.4%)；Eye Irrit. 2 (67.4%)；Acute Tox. 3 (32.6%)；Muta. 2 (54.7%)；Carc. 2 (55.8%)；Aquatic Acute 1 (32.6%)；Aquatic Chronic 2 (32.6%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 05-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23789

Acetohydrazide: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
3-8-10
PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
1
tsca
TSCA listed
rtecs
AI1225000
ridadr
1759

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Tissue LocationsKidney；Liver

Uses & manufacturing

General Manufacturing InformationAcetic acid, hydrazide: ACTIVE
Applications · 2 items

DescriptionAcethydrazide is an essential organic intermediate mainly used to synthesize nifuratrone in the pharmaceutical industry. It belongs to the hydrazine/hydrazone group, which plays an important role in the anti-microbial activity. Recently, Acethydrazide has gained significant importance due to its anti-tuberculosis activity. A disease caused by parasites represents a major world health problem with limited therapeutic options. Acethydrazide was synthesized from the reaction between ethyl acetate and hydrazine hydrate in methanol solvent and purified[1-2].

UsesAcetic hydrazide is used as an antibiotic for the treatment of mycobacterium tuberculosis. It is also involved in the preparation of sunitinib b reacting with 5-fluoroisatin. Further, it inhibits mycolic acid biosynthesis. It serves as an important intermediate in organic synthesis such as nitric furosemide Long (nifuratrone) in medicine.Acethydrazide can be used in the synthesis of (E)-N′-(2-hydroxybenzylidene)acetohydrazide, an ONO pincer ligand.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: A carbohydrazide that is hydrazine in which one of the hydrogens is replaced by an acetyl group.

Related reactions

346 records
New reaction record

Compound notes

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