Basic information
- CAS
5848-93-1- Standard SMILES
Clc1nc(C(Cl)(Cl)Cl)ns1- InChIKey
MARKPJMFLDWCID-UHFFFAOYSA-N- Molecular formula
- C3Cl4N2S
- Average molar mass
- 237.9 g/mol
- Monoisotopic mass
- 235.85363
Names & identifiers
- Preferred name
- 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-
- IUPAC
- 5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole
- English name
- 5-CHLORO-3-(TRICHLOROMETHYL)-1,2,4-THIADIAZOLE
- Molecular formula
- C3Cl4N2S
- Molecular weight
- 237.92
Names & synonyms
5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole5848-93-11,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-DTXSID7064021RefChem:410973DTXCID3042396991-295-3MFCD02311301C3Cl4N2SSCHEMBL3147912AKOS026744273SY164557
Show more names
3-Trichlormethyl-5-chlor-1,2,4-thiadiazol3-trichloromethyl-5-chloro-1,2,4-thiadiazole5-chloro-3-trichloromethyl-1,2,4-thiadiazoleEN300-182521G75792F522557
Database identifiers
- CAS
5848-93-1- PubChem CID
- 79930
- DTXSID
DTXSID7064021- EC Number
- 991-295-3
- Nikkaji
- J421.782I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 112 °C · 112 °C(Press: 12 Torr)
- Density
- 1.849 · 1.849±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- -4.58 · -4.58±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Henry's Law Constant
- 1.6 · 1.6×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 1 · 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- (5848-93-1)
- TSCA
- TSCA listed
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-: ACTIVE
Suppliers6 total
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
6 records
Compound notes
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