2-Chlorobenzoxazole
Properties
- Molecular formula
- C7H4ClNO
- Molar mass
- 153.56 g/mol
- Exact mass
- 152.9981 Da
- Density
- 1.32 g/mL
- Melting point
- 7 °C
- Boiling point
- 201.5 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation88% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
615-18-9SMILES
Clc1nc2ccccc2o1InChIKey
BBVQDWDBTWSGHQ-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzoxazole, 2-chloro-
- NSC 8439
- 2-Chlorobenzo[d]oxazole
- 2-Chloro-1,3-benzoxazole
Work with 2-Chlorobenzoxazole
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,5-Dichlorobenzooxazole3621-81-657 % similar
2,6-Dichlorobenzoxazole3621-82-757 % similar
2-Mercaptobenzoxazole2382-96-952 % similar
2(3H)-Benzoxazolone59-49-452 % similar
2-Methylbenzoxazole95-21-652 % similar
2-Phenylbenzoxazole833-50-150 % similar
1-(1,3-Benzoxazol-2-yl)methanamine101333-98-647 % similar
2-Ethynyl-1,3-benzoxazole40176-79-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds