CAS 2158-31-8 Cycloheptanone Oxime (HCID 137457)

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Basic information

CAS: 2158-31-8
Standard SMILES: ON=C1CCCCCC1
InChIKey: OENGSNXUALAIFP-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Names & identifiers

Preferred name: Cycloheptanone Oxime
IUPAC: N-cycloheptylidenehydroxylamine
English name: Cycloheptanone oxime
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

cycloheptanone oxime2158-31-8Cycloheptanone, oximeSuberoximeC2O7M4H8YMNSC-80656UNII-C2O7M4H8YMCYCLOHEPTANONE OXIME [MI]DTXSID50175934NSC 80656RefChem:129512DTXCID0098425

Show more names

Cycloheptanone Oxime >N-cycloheptylidenehydroxylamine

InChI=1/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6HOENGSNXUALAIFP-UHFFFAOYSA-NN-cycloheptylidenehydroxylamineMFCD00046508CHEMBL92922SCHEMBL1022705SCHEMBL3472853CAA15831

Database identifiers

CAS: 2158-31-8
PubChem CID: 137457
DTXSID: DTXSID50175934
ChEMBL: CHEMBL92922
UNII: C2O7M4H8YM
EC Number: 825-994-0
Nikkaji: J100.606A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.5

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 22 · 22-23 °C
Boiling point: 152 °C · 152 °C / 20mmHg
Density: 1 · 1,03 g/cm3
refractive index: 1.501 · 1.5010-1.5040
form: clear liquid
pka: 12.42 · 12.42±0.20(Predicted)
color: Colorless to Light yellow
Merck: 14 · 14,2722
FDA UNII: 2 O7M4H8YM · C2O7M4H8YM
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2929900090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362