4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole

HCID 9794289CAS 103788-61-0

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1oc(-c2ccccc2)nc1CCl
InChIKey: VCTKYTBWZTZPHF-UHFFFAOYSA-N
Molecular formula: C11H10ClNO
Average molar mass: 207.65 g/mol
Monoisotopic mass: 207.04509162

Names & identifiers

Preferred name: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
IUPAC: 4-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
English name: 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
Molecular formula: C11H10ClNO
Molecular weight: 207.66

Names & synonyms

103788-61-04-(chloromethyl)-5-methyl-2-phenyl-1,3-oxazoleDTXSID70430779RefChem:97401DTXCID30381612825-524-44-(chloromethyl)-5-methyl-2-phenyloxazole4-chloromethyl-5-methyl-2-phenyl-oxazoleMFCD008009404-chloromethyl-5-methyl-2-phenyloxazole5-Methyl-2-phenyl-4-(chloromethyl)oxazole; [5-Methyl-2-phenyloxazol-4-yl]methyl Chloride; 4-(Chloromethyl)-5-methyl-2-phenyloxazole; 4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole; 4-Chloromethyl-2-phenyl-5-methyloxazoleChloromethyl-5-methyl-2-phenyloxazole

Show more names

4-Chloromethyl-2-phenyl-5-methyloxazole5-Methyl-2-phenyl-4-(chloromethyl)oxazoleOxazole, 4-(chloromethyl)-5-methyl-2-phenyl-[5-Methyl-2-phenyloxazol-4-yl]methyl chloride(5-methyl-2-phenyl-4-oxazolyl)methyl chloride

2-phenyl-4-(chloromethyl)-5-methyloxazoleSCHEMBL503999CHEMBL5173270VCTKYTBWZTZPHF-UHFFFAOYSA-NDEA78861SBB093933AKOS001289751BS-9833

Database identifiers

CAS: 103788-61-0
PubChem CID: 9794289
DTXSID: DTXSID70430779
ChEMBL: CHEMBL5173270
EC Number: 825-524-4
Nikkaji: J1.981.227H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 83 °C · 83 °C
Boiling point: 0 °C · 0°C
Density: 1.188 · 1.188
Flash point: 0 °C · 0°C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: -0.12 · -0.12±0.26(Predicted)
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 1759 · 1759
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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

ridadr: 1759
hs_code: 2934999090
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313