Basic information
- CAS
73217-30-8- Standard SMILES
ClCc1noc(-c2ccc(Cl)cc2)n1- InChIKey
GZDRVMHSHFNDIU-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2O
- Average molar mass
- 229.06 g/mol
- Monoisotopic mass
- 227.98571817
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
- IUPAC
- 3-(chloromethyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
- English name
- 3-(Chloromethyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
- Molecular formula
- C9H6Cl2N2O
- Molecular weight
- 229.06
Names & synonyms
3-(chloromethyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole73217-30-8DTXSID10502904RefChem:275284DTXCID00453714849-199-3MFCD018090863-Chloromethyl-5-(4-chlorophenyl)-[1,2,4]oxadiazole1,2,4-Oxadiazole,3-(chloromethyl)-5-(4-chlorophenyl)-SCHEMBL7810523GZDRVMHSHFNDIU-UHFFFAOYSA-NYCA21730
Show more names
3-(Chloromethyl)-5-(4-Chlorophenyl)-1,2,4-Oxadiazole(WXC02884)
SBB097387STL097613AKOS001419550AS-69354SY123542DB-128081EN300-29755W11682
Database identifiers
- CAS
73217-30-8- PubChem CID
- 12569952
- DTXSID
DTXSID10502904- EC Number
- 849-199-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 343.8 · 343.8±52.0 °C(Predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- -2.75 · -2.75±0.37(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- 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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers6 total
上海宣月科技有限公司15216675652 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
2 records
Compound notes
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