Basic information
- CAS
1248557-85-8- Standard SMILES
Cc1nc(CC#N)sc1C- InChIKey
ZZUFHCBRALCGFV-UHFFFAOYSA-N- Molecular formula
- C7H8N2S
- Average molar mass
- 152.22 g/mol
- Monoisotopic mass
- 152.04081944
Names & identifiers
- Preferred name
- 2-(Dimethyl-1,3-thiazol-2-yl)acetonitrile
- IUPAC
- 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile
- English name
- 2-(dimethyl-1,3-thiazol-2-yl)acetonitrile
- Molecular formula
- C7H8N2S
- Molecular weight
- 152.22
Names & synonyms
2-(dimethyl-1,3-thiazol-2-yl)acetonitrile1248557-85-8RefChem:460748863-377-82-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile2-(4,5-dimethylthiazol-2-yl)acetonitrileSCHEMBL13737778ZZUFHCBRALCGFV-UHFFFAOYSA-NYZB55785MFCD14618816AKOS005198786(4,5-dimethyl-thiazol-2-yl)-acetonitrile
Show more names
2-Thiazoleacetonitrile, 4,5-dimethyl-
EN300-85175Z48848938
Database identifiers
- CAS
1248557-85-8- PubChem CID
- 46398261
- EC Number
- 863-377-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 277.7 · 277.7±28.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- pka
- 2.65 · 2.65±0.10(Predicted)
- form
- Oil
- color
- Dark Red to Black
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312-H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P317, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H312-H315-H319-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2-(Dimethyl-1,3-thiazol-2-yl)acetonitrile may be useful in the preparation of new bicyclic thiophenylamide compounds as fatty-acid binding protein (FABP) 4/5 inhibitors.
Suppliers4 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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