3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

HCID 2736622
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Basic information

CAS
175205-63-7
Standard SMILES
FC(F)(F)c1cccc(-c2nc(CCl)no2)c1
InChIKey
INANILNLXTUPHD-UHFFFAOYSA-N
Molecular formula
C10H6ClF3N2O
Average molar mass
262.61 g/mol
Monoisotopic mass
262.01207515

Names & identifiers

Preferred name
3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC
3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
English name
3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Molecular formula
C10H6ClF3N2O
Molecular weight
262.62

Names & synonyms

175205-63-73-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole3-(chloromethyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole3-chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleMFCD000849691,2,4-Oxadiazole, 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-3-chloromethyl-5-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazoleSCHEMBL1544643DTXSID203714863-chloromethyl-5-(3-trifluoromethylphenyl)-[1,2,4]oxadiazoleSBB005579AKOS009159199
Show more names
BUTTPARK 48\08-26TIMTEC-BB SBB0055793-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol...3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole95+%
AS-31430DB-004923ST510416015-[3(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole5-[3-(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, AldrichCPR

Database identifiers

CAS
175205-63-7
PubChem CID
2736622
DTXSID
DTXSID20371486
EC Number
672-008-8

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
38.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Melting point
25 · 25-27°C
Boiling point
322.5 · 322.5±52.0 °C(Predicted)
Density
1.418 · 1.418±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-3.1 · -3.10±0.44(Predicted)
CAS DataBase Reference
175205 · 175205-63-7(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2934999090
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
hazard_note
Corrosive

Chemistry & industry

Upstream & downstream products

Suppliers34 total

武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]

Related reactions

98 records
New reaction record

Compound notes

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