Basic information
- CAS
5728-14-3- Standard SMILES
Clc1nsnc1-c1ccccc1- InChIKey
AKHLEAKSFDZHLQ-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2S
- Average molar mass
- 196.66 g/mol
- Monoisotopic mass
- 195.98619684
Names & identifiers
- Preferred name
- 3-Chloro-4-phenyl-1,2,5-thiadiazole
- IUPAC
- 3-chloro-4-phenyl-1,2,5-thiadiazole
- English name
- 3-CHLORO-4-PHENYL-1,2,5-THIADIAZOLE
- Molecular formula
- C8H5ClN2S
- Molecular weight
- 196.66
Names & synonyms
3-chloro-4-phenyl-1,2,5-thiadiazole5728-14-3DTXSID80377267RefChem:278349DTXCID40328295MFCD01935960SCHEMBL544426AKHLEAKSFDZHLQ-UHFFFAOYSA-NFAA72814SBB092075AKOS0050706115K-360S
Show more names
1,2,5-Thiadiazole, 3-chloro-4-phenyl-3-chloro-4-phenyl-1,2,5-thiadiazole(WXC08480)
4-Phenyl-3-chloro-1,2,5-thiadiazoleBP-10906DA-18130SY406074CS-0223601EN300-115968
Database identifiers
- CAS
5728-14-3- PubChem CID
- 2764044
- DTXSID
DTXSID80377267- Nikkaji
- J918.837A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 139 · 139-144°C
- Boiling point
- 94 · 94-96°/0.1mm
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
12 records
Compound notes
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