CAS 1011-40-1 2-Phenyl-1,3-thiazole-5-carbaldehyde (HCID 2763706)

Substructure search Find similar structures

Basic information

CAS: 1011-40-1
Standard SMILES: O=Cc1cnc(-c2ccccc2)s1
InChIKey: KKALNCQCDXQTCG-UHFFFAOYSA-N
Molecular formula: C10H7NOS
Average molar mass: 189.24 g/mol
Monoisotopic mass: 189.02483484

Names & identifiers

Preferred name: 2-Phenyl-1,3-thiazole-5-carbaldehyde
IUPAC: 2-phenyl-1,3-thiazole-5-carbaldehyde
English name: 2-Phenyl-1,3-thiazole-5-carbaldehyde
Molecular formula: C10H7NOS
Molecular weight: 189.23

Names & synonyms

1011-40-12-phenyl-1,3-thiazole-5-carbaldehydeDTXSID30377111RefChem:477986DTXCID40328139675-846-22-Phenylthiazole-5-carbaldehyde2-Phenyl-Thiazole-5-CarbaldehydeMFCD049737195-THIAZOLECARBOXALDEHYDE, 2-PHENYL-2-Phenyl-5-thiazolecarboxaldehyde5-Thiazolecarboxaldehyde,2-phenyl-

Show more names

chembrdg-bb 43011922-PHENYL-5-FORMYLTHIAZOLE2-phenylthiazole-5-carbaldehyde, 95+%2-PHENYLTHIAZOLE-5-CARBOXALDEHYDESCHEMBL93942-phenyl-1,3-thiazole-5-carbaldehyde(saltdata: free)SCHEMBL28202714KKALNCQCDXQTCG-UHFFFAOYSA-N

Database identifiers

CAS: 1011-40-1
PubChem CID: 2763706
DTXSID: DTXSID30377111
EC Number: 675-846-2

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 78 · 78-80°C
Boiling point: 353 · 353.0±34.0 °C(Predicted)
Density: 1.269 · 1.269±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.65 · 0.65±0.10(Predicted)
Appearance: Yellow to orange Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22

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, P317, 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.