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Acetic acid, (2,4,5-trichlorophenoxy)-, hydrazide

HCID 456735
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Basic information

CAS
2381-77-3
Standard SMILES
NNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIKey
RJNOGGWECYOHOH-UHFFFAOYSA-N
Molecular formula
C8H7Cl3N2O2
Average molar mass
269.5 g/mol
Monoisotopic mass
267.957311

Names & identifiers

Preferred name
Acetic acid, (2,4,5-trichlorophenoxy)-, hydrazide
IUPAC
2-(2,4,5-trichlorophenoxy)acetohydrazide
English name
2-(2,4,5-TRICHLOROPHENOXY)ACETOHYDRAZIDE
Molecular formula
C8H7Cl3N2O2
Molecular weight
269.51

Names & synonyms

2381-77-3Acetic acid, (2,4,5-trichlorophenoxy)-, hydrazide(2,4,5-Trichlorophenoxy)acetic acid hydrazideDTXSID90178525RefChem:316114DTXCID501010162-(2,4,5-Trichlorophenoxy)acetohydrazideMFCD004557202,4,5triClPhOAcAcetic acid,2-(2,4,5-trichlorophenoxy)-, hydrazideOprea1_596743Oprea1_703421
Show more names
AKOS B015000AKOS BBS-00002427CHEMBRDG-BB 3015000ART-CHEM-BB B0150002-(2,4,5-trichlorophenoxy)ethanehydrazide2,4,5-Trichlorophenoxyacetic acid, hydrazide
SCHEMBL9768845ALBB-002506BBL016380SBB039761STK398306AKOS000271032SB861282-(2,4,5-Trichlorophenoxy)acethydrazide

Database identifiers

CAS
2381-77-3
PubChem CID
456735
DTXSID
DTXSID90178525

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
230

Physicochemical properties

Boiling point
475.4 · 475.4±45.0 °C(Predicted)
Density
1.536 · 1.536±0.06 g/cm3(Predicted)
pka
11.79 · 11.79±0.35(Predicted)
Hazard Codes
Xi
HazardClass
IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_code
Xi
hazard_class
IRRITANT

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Related reactions

3 records
New reaction record
HRID 938679 reaction equation
HRID 938679As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1085959 reaction equation
HRID 1085959As reactantuspto-grants-1991_04
HRID 1493706 reaction equation
HRID 1493706As reactantuspto-grants-1991_06

Compound notes

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