CAS 30186-39-1 1-phenyl-1H-pyrrole-2-carbaldehyde (HCID 934729)

Substructure search Find similar structures

Basic information

CAS: 30186-39-1
Standard SMILES: O=Cc1cccn1-c1ccccc1
InChIKey: LXEQKKWJDGVPRW-UHFFFAOYSA-N
Molecular formula: C11H9NO
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.06841391

Names & identifiers

Preferred name: 1-phenyl-1H-pyrrole-2-carbaldehyde
IUPAC: 1-phenylpyrrole-2-carbaldehyde
English name: 1-Phenyl-1H-pyrrole-2-carbaldehyde
Molecular formula: C11H9NO
Molecular weight: 171.2

Names & synonyms

1-phenyl-1H-pyrrole-2-carbaldehyde30186-39-1DTXSID70359052RefChem:435546DTXCID10310107988-104-01-phenylpyrrole-2-carbaldehydeMFCD004575951H-Pyrrole-2-carboxaldehyde, 1-phenyl-SMR000387045N-phenylpyrrole-2-aldehydeMLS000768696

Show more names

1-PHENYL-1H-PYRROLE-2-CARBOXALDEHYDEPHENYLPYRROLE-2-CARBOXALDEHYDE NSUBSTITUTED1-phenyl-1H-pyrrole-2-carbaldehyde(SALTDATA: FREE)

MLS001049034l-phenylpyrrole-2-carbaldehydeSCHEMBL1127259CHEMBL1425138LXEQKKWJDGVPRW-UHFFFAOYSA-NHMS2269B21FBA18639BBL022091

Database identifiers

CAS: 30186-39-1
PubChem CID: 934729
DTXSID: DTXSID70359052
ChEMBL: CHEMBL1425138
EC Number: 988-104-0
Nikkaji: J589.196E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 22 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 175

Physicochemical properties

form: solid
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.