Basic information
- Standard SMILES
Clc1nc(N2CCOCC2)ns1- InChIKey
VUKCIZRKDVPTOX-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3OS
- Average molar mass
- 205.67 g/mol
- Monoisotopic mass
- 205.00766056
Names & identifiers
- Preferred name
- 4-(5-Chloro-1,2,4-thiadiazol-3-yl)morpholine
- IUPAC
- 4-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine
- English name
- 4-(5-Chloro-[1,2,4]thiadiazol-3-yl)-morpholine
- Molecular formula
- C6H8ClN3OS
- Molecular weight
- 205.67
Names & synonyms
887623-92-94-(5-chloro-1,2,4-thiadiazol-3-yl)morpholine4-(5-Chloro-[1,2,4]thiadiazol-3-yl)-morpholineMFCD12131114SCHEMBL3759762VUKCIZRKDVPTOX-UHFFFAOYSA-NDTXSID201259541MKB62392SBB093554AKOS014601683AS-5566CS-0147271
Show more names
Morpholine, 4-(5-chloro-1,2,4-thiadiazol-3-yl)-
5-chloro-3-morpholin-4-yl-1,2,4-thiadiazoleF075410
Database identifiers
- CAS
887623-92-9- PubChem CID
- 56832319
- DTXSID
DTXSID201259541- EC Number
- 185-998-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 343.3 · 343.3±52.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- pka
- -1.3 · -1.30±0.30(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
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)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
3 records
Linked notes
Loading…