Basic information
- CAS
36292-29-2- Standard SMILES
Cc1cccc(C)c1NC(=O)C(C)Cl- InChIKey
QYFFOECQCIFQMX-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Names & identifiers
- Preferred name
- 2-chloro-N-(2,6-dimethylphenyl)propanamide
- IUPAC
- 2-chloro-N-(2,6-dimethylphenyl)propanamide
- English name
- 2-Chloro-N-(2,6-dimethylphenyl)propanamide
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
2-chloro-N-(2,6-dimethylphenyl)propanamide36292-29-2RefChem:469976998-604-0MFCD004637752-chloro-N-(2,6-dimethylphenyl)propionamideSCHEMBL6278395QYFFOECQCIFQMX-UHFFFAOYSA-NAKOS000263368AKOS016893369FC127360MS-32421
Show more names
AKOS 93480
CS-0241528N-(2,6-dimethylphenyl)-2-chloropropanamideST50908726EN300-23370Propanamide, 2-chloro-N-(2,6-dimethylphenyl)-F341399N-(2,6-Dimethylphenyl)-2-chloropropanamide, 95%Z147652162
Database identifiers
- CAS
36292-29-2- PubChem CID
- 4538347
- EC Number
- 998-604-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 324.2 · 324.2±30.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 13.16 · 13.16±0.70(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers3 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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