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1,2-Bis(dichloroacetyl)hydrazine

HCID 96495
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Basic information

CAS
16054-41-4
Standard SMILES
O=C(NNC(=O)C(Cl)Cl)C(Cl)Cl
InChIKey
WOJKJUQKPSGJCT-UHFFFAOYSA-N
Molecular formula
C4H4Cl4N2O2
Average molar mass
253.9 g/mol
Monoisotopic mass
251.902688

Names & identifiers

Preferred name
1,2-Bis(dichloroacetyl)hydrazine
IUPAC
2,2-dichloro-N'-(2,2-dichloroacetyl)acetohydrazide
English name
1,2-Bis(dichloroacetyl)hydrazine
Molecular formula
C4H4Cl4N2O2
Molecular weight
253.9

Names & synonyms

1,2-Bis(dichloroacetyl)hydrazine16054-41-4Hydrazine, 1,2-bis(dichloroacetyl)-UNII-DKP9OXQ34DDKP9OXQ34DNSC 76555BRN 2969372Acetic acid, dichloro-, 2-(dichloroacetyl)hydrazideNSC-76555DTXSID50166923ACETIC ACID, 2,2-DICHLORO-, 2-(2,2-DICHLOROACETYL)HYDRAZIDERefChem:71731
Show more names
DTXCID2089414Acetic acid, dichloro-, 2-(dichloroacetyl)hydrazide (9CI)654-564-32,2-dichloro-N'-(2,2-dichloroacetyl)acetohydrazideBis(dichloroacetyl)diamine2,2-dichloro-n'-(dichloroacetyl)acetohydrazideHydrazine,2-bis(dichloroacetyl)-NSC76555

Database identifiers

CAS
16054-41-4
PubChem CID
96495
DTXSID
DTXSID50166923
UNII
DKP9OXQ34D
EC Number
654-564-3
Nikkaji
J59.879H

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
164

Physicochemical properties

Boiling point
403.1 · 403.1±45.0 °C(Predicted)
Density
2.1659 · 2.1659 (rough estimate)
refractive index
1.62 · 1.6200 (estimate)
pka
7.9 · 7.90±0.43(Predicted)
FDA UNII
9 OXQ34D · DKP9OXQ34D
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

Safety & regulation

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

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Related reactions

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Compound notes

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