Basic information
- CAS
195374-38-0- Standard SMILES
CCC(Br)C(=O)Nc1cccc(Cl)c1C- InChIKey
ULVZKBBHUYBRTD-UHFFFAOYSA-N- Molecular formula
- C11H13BrClNO
- Average molar mass
- 290.58 g/mol
- Monoisotopic mass
- 288.9869
Names & identifiers
- Preferred name
- 2-bromo-N-(3-chloro-2-methylphenyl)butanamide
- IUPAC
- 2-bromo-N-(3-chloro-2-methylphenyl)butanamide
- English name
- 2-bromo-N-(3-chloro-2-methylphenyl)butanamide
- Molecular formula
- C11H13BrClNO
- Molecular weight
- 290.58
Names & synonyms
2-bromo-N-(3-chloro-2-methylphenyl)butanamide195374-38-0MFCD000961212-bromo-N-(3-chloro-2-methyl-phenyl)butanamideALBB-007258AKOS000264705AKOS016345532LS-026832-Bromo-(3-chloro-2-methylphenyl)butanamideCS-0333719H245012-BROMO-3'-CHLORO-2'-METHYLBUTYRANILIDE
Show more names
2-BROMO-3'-CHLORO-2'-METHYLBUTYRANILIDEButanamide, 2-bromo-N-(3-chloro-2-methylphenyl)-
Database identifiers
- CAS
195374-38-0- PubChem CID
- 5084375
- EC Number
- 113-941-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 379.7 · 379.7±37.0 °C(Predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Predicted)
- pka
- 12.38 · 12.38±0.70(Predicted)
- HazardClass
- IRRITANT
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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