Benzaldehyde, 2,6-dichloro-, oxime

HCID 91328

Notes Reactions

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Basic information

CAS: 25185-95-9
Standard SMILES: ON=Cc1c(Cl)cccc1Cl
InChIKey: YBSXDWIAUZOFFV-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO
Average molar mass: 190.02 g/mol
Monoisotopic mass: 188.97481914

Names & identifiers

Preferred name: Benzaldehyde, 2,6-dichloro-, oxime
IUPAC: N-[(2,6-dichlorophenyl)methylidene]hydroxylamine
English name: 2,6-Dichlorobenzaldoxime
Molecular formula: C7H5Cl2NO
Molecular weight: 190.03

Names & synonyms

EINECS 246-720-0Benzaldehyde, 2,6-dichloro-, oximeDTXSID4067066RefChem:117102DTXCID503723825185-95-92,6-Dichloro-benzaldehyde oximeMZR65H4E7T(E)-2,6-dichlorobenzaldehyde oxime(Z)-2,6-Dichlorobenzaldehyde oximeMFCD000139383714-77-0

Show more names

TIMTEC-BB SBB0080122.6-Dichlorobenzyloxim2,6-DICHLOROBENZALDOXIM2,6-dichlorobenzyloxime2,6-DICHLOROBENZALOXIME2,6-DICHLOROBENZALDOXIME2,6-dichloro-benzaldehydoxime2,6-DICHLOROBENZALDEHYDE OXIME(1E)-2,6-dichlorobenzaldehyde oxime

SCHEMBL533867CS-M0366AKOS001094495AS-807582,6-dichlorobenzaldehyd(E)-1-(2,6-dichlorophenyl)-N-hydroxymethanimineMaybridge1_008852UNII-MZR65H4E7T

Database identifiers

CAS: 25185-95-9、3714-77-0
PubChem CID: 91328
DTXSID: DTXSID4067066
UNII: MZR65H4E7T
EC Number: 246-720-0、609-334-7

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 147 °C · 147 °C
Boiling point: 280.4 · 280.4±30.0 °C(Predicted)
Density: 1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 10.06 · 10.06±0.10(Predicted)
Appearance: White to off-white Solid
BRN: 2046662 · 2046662
InChIKey: YBSXDWIAUZOFFV-ONNFQVAWSA-N
CAS DataBase Reference: 25185 · 25185-95-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 65 H4E7T · MZR65H4E7T
NIST Chemistry Reference: 2 · 2,6-Dichlorobenzaldoxime(25185-95-9)
EPA Substance Registry System: 2 · Benzaldehyde, 2,6-dichloro-, oxime (25185-95-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P362+P364
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-26-36/37/39
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2913000090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-26-36/37/39
hazard_class: IRRITANT
Hazard statements: H319-H335-H302+H312+H332-H315
Precautionary statements: P280-P301+P312-P362+P364

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2,6-dichloro-, oxime: ACTIVE

Applications

Uses2,6-Dichlorobenzaldehyde oxime is an important intermediate in the synthesis process of benzoyl urea insecticides. In addition, it is also a pharmaceutical intermediate for the production of diclofenac sodium penicillin.