4-(4-Methyl-1,3-thiazol-5-yl)benzonitrile
Basic information
- CAS
122957-57-7- Standard SMILES
Cc1ncsc1-c1ccc(C#N)cc1- InChIKey
REUDLMVWBUGLDA-UHFFFAOYSA-N- Molecular formula
- C11H8N2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.04081944
Names & identifiers
- Preferred name
- 4-(4-Methyl-1,3-thiazol-5-yl)benzonitrile
- IUPAC
- 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
- English name
- 4-(4-methylthiazol-5-yl) benzonitrile
- Molecular formula
- C11H8N2S
- Molecular weight
- 200.26
Names & synonyms
122957-57-74-(4-methyl-1,3-thiazol-5-yl)benzonitrileRefChem:514356107-349-94-(4-methylthiazol-5-yl)benzonitrileMFCD290419784-(4-Methyl-5-thiazolyl)benzonitrileSCHEMBL9726798REUDLMVWBUGLDA-UHFFFAOYSA-NXEA957575-(4-Cyanophenyl)-4-methylthiazole-4(4-methylthiazol-5-yl)benzonitrile
Show more names
4-(4-methylthiazol-5-yl) benzonitrileBenzonitrile, 4-(4-methyl-5-thiazolyl)-4-(4-methylthiazol-5-yl)benzonitrile(WXC06452)4-(4-methyl-1,3-thiazol-5-yl)benzonitrile - [AC77675]4-(4-methylthiazol-5-yl) benzonitrile ISO 9001：2015 REACH
AKOS027423922AS-65178SY125693DB-218391CS-0047241EN300-246997W13490
Database identifiers
- CAS
122957-57-7- PubChem CID
- 19877181
- EC Number
- 107-349-9
- Nikkaji
- J3.239.832D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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