Benzophenone oxime

HCID 11324

Notes Reactions

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Basic information

CAS: 574-66-3
Standard SMILES: ON=C(c1ccccc1)c1ccccc1
InChIKey: DNYZBFWKVMKMRM-UHFFFAOYSA-N
Molecular formula: C13H11NO
Average molar mass: 197.23 g/mol
Monoisotopic mass: 197.08406397

Names & identifiers

Preferred name: Benzophenone oxime
IUPAC: N-benzhydrylidenehydroxylamine
English name: Benzophenone oxime
Molecular formula: C13H11NO
Molecular weight: 197.23

Names & synonyms

Benzophenone oximeBenzophenoximeMethanone, diphenyl-, oximeBENZOPHENONE, OXIMEUNII-2DLJ8C37DQEINECS 209-373-62DLJ8C37DQNSC 20724BRN 1869643AI3-52535Methanone diphenyl oximeNSC-20724

Show more names

Diphenylmethanone oximeBenzophenonoximdiphenylketoximeDiphenyl ketoximeBenzophenone OximDIPHENYLKETONE OXIMEBenzophenoneoxime,98%diphenylmethanoneoxime

BENZOPHENONE OXIME [MI]DTXSID00603554-07-00-01367 (Beilstein Handbook Reference)RefChem:118526DTXCID8042212209-373-6DNYZBFWKVMKMRM-UHFFFAOYSA-N574-66-3

Database identifiers

CAS: 574-66-3
PubChem CID: 11324
DTXSID: DTXSID0060355
UNII: 2DLJ8C37DQ
EC Number: 209-373-6
Nikkaji: J45.684E

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP3.2

Physicochemical properties

Melting point: 140 · 140-144 °C
Boiling point: 334.34 °C · 334.34°C (rough estimate)
Density: 1.0957 · 1.0957 (rough estimate)
refractive index: 1.605 · 1.6050 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 10.9 · 10.90±0.70(Predicted)
form: Powder
color: White
Water Solubility: insoluble
Sensitive: Air & Moisture Sensitive
Merck: 14 · 14,1098
BRN: 1869643 · 1869643
CAS DataBase Reference: 574 · 574-66-3(CAS DataBase Reference)
FDA UNII: 2 DLJ8C37DQ · 2DLJ8C37DQ
NIST Chemistry Reference: Methanone, diphenyl-, oxime(574-66-3)
EPA Substance Registry System: Methanone, diphenyl-, oxime (574-66-3)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P280i-P301+P312a-P305+P351+P338-P310a-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 37 · 37/39-26-36
RTECS: 1810000 · DJ1810000
TSCA: TSCA listed
HS Code: 29280000 · 29280000
Toxicity: 50 unr-mus: · LD50 unr-mus: 560 mg/kg PCJOAU 12,227,78

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.