Bicyclo[2.2.1]heptane-2-carbaldehyde

HCID 86864

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Basic information

CAS: 19396-83-9
Standard SMILES: O=CC1CC2CCC1C2
InChIKey: UAQYREPFSVCDHT-UHFFFAOYSA-N
Molecular formula: C8H12O
Average molar mass: 124.18 g/mol
Monoisotopic mass: 124.088815

Names & identifiers

Preferred name: Bicyclo[2.2.1]heptane-2-carbaldehyde
IUPAC: bicyclo[2.2.1]heptane-2-carbaldehyde
English name: Norbornane-2-carboxaldehyde
Molecular formula: C8H12O
Molecular weight: 124.18

Names & synonyms

Bicyclo[2.2.1]heptane-2-carbaldehydeBicyclo[2.2.1]heptane-2-carboxaldehydeBicyclo(2.2.1)heptane-2-carbaldehydeEINECS 243-025-4DTXSID90941094Bicyclo(2.2.1)heptane-2-carboxaldehydeRefChem:568153DTXCID001369540243-025-419396-83-9Norbornane-2-CarboxaldehydeMFCD01318318

Show more names

ART-CHEM-BB B0142972-NorbornanecarbaldehydeBICYCLO[2,2,1]HEPTANE-2-CARBOXALDEHYDE

norbornane-2-carbaldehyde2-Formylnorbornane3574-55-82-formylbicyclo[2.2.1]heptaneNSC1105843574-54-7Z1079442802Bicyclo[2.2.1]heptane-2-carboxaldehyde, (1R,2R,4S)-rel-

Database identifiers

CAS: 19396-83-9、3574-54-7
PubChem CID: 86864
DTXSID: DTXSID90941094
EC Number: 243-025-4
Nikkaji: J242.798B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 131

Physicochemical properties

Boiling point: 75 · 75-76℃ (25 Torr)
Density: 1.0227 · 1.0227
refractive index: 1.476 · 1.4760
storage temp.: -20 °C, · -20°C, stored under nitrogen
Appearance: Colorless to off-white Liquid
InChI: InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2
InChIKey: UAQYREPFSVCDHT-UHFFFAOYSA-N
SMILES: C12CC(CC1)CC2C=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H335-H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P