5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride
Basic information
- CAS
98591-60-7- Standard SMILES
O=C(Cl)c1nnc(-c2ccccc2)o1- InChIKey
BNBPFMDHCGJSSB-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.0039551
Names & identifiers
- Preferred name
- 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride
- IUPAC
- 5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride
- English name
- 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6
Names & synonyms
5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride98591-60-7DTXSID00381487RefChem:304596DTXCID20332512638-955-6MFCD030862041,3,4-Oxadiazole-2-carbonylchloride, 5-phenyl-5-PHENYL-1,3,4-OXADIAZOLE-2-CARBONYLCHLORIDESCHEMBL893125BNBPFMDHCGJSSB-UHFFFAOYSA-NSBB094100
Show more names
2-(Chlorocarbonyl)-5-phenyl-1,3,4-oxadiazole1,3,4-Oxadiazole-2-carbonyl chloride, 5-phenyl-
AKOS027381459AS-9650DB-0307235-phenyl-[1,3,4]oxadiazole-2-carbonyl chloride5-phenyl-1,3,4-oxadiazole-2-carbonyl-chloride
Database identifiers
- CAS
98591-60-7- PubChem CID
- 2779656
- DTXSID
DTXSID00381487- EC Number
- 638-955-6
- Nikkaji
- J3.391.722H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 80 · 80-90
- Boiling point
- 352.1 · 352.1±25.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- -6.11 · -6.11±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280
- Hazard Codes
- C
- Hazard Note
- Corrosive
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (50%)
Safety data
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- Hazard statements
- H314
- Precautionary statements
- P280
Related reactions
4 records
Compound notes
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