3'-Methylbenzanilide
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Basic information
- CAS
582-77-4- Standard SMILES
Cc1cccc(NC(=O)c2ccccc2)c1- InChIKey
PDEGMQCBLXQVLD-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- 3'-Methylbenzanilide
- IUPAC
- N-(3-methylphenyl)benzamide
- English name
- 3'-methylbenzanilide
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
N-(3-methylphenyl)benzamideN-(m-Tolyl)benzamide3'-Methylbenzanilidem-BenzotoluidideBenzamide, N-(3-methylphenyl)-6U665W3ZZENSC-4711EINECS 209-490-2AI3-01421N-BENZOYL-3-METHYLANILINEDTXSID60206945NSC 4711
Show more names
m-BenzotoluideN-(m-Methylphenyl)benzamideBENZAMIDE,N-(3-METHYLPHENYL)-
RefChem:90462DTXCID90129436209-490-2PDEGMQCBLXQVLD-UHFFFAOYSA-N582-77-4n-m-tolyl-benzamideN1-(3-methylphenyl)benzamideNSC4711
Database identifiers
- CAS
582-77-4- PubChem CID
- 68496
- DTXSID
DTXSID60206945- ChEMBL
CHEMBL2234179- UNII
- 6U665W3ZZE
- EC Number
- 209-490-2
- Nikkaji
- J7.439J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
LogP2.75
Physicochemical properties
- Melting point
- 125 °C · 125°C
- Boiling point
- 350.95 °C · 350.95°C (rough estimate)
- Density
- 1.17 · 1.1700
- refractive index
- 1.578 · 1.5780 (estimate)
- pka
- 13.52 · 13.52±0.70(Predicted)
- FDA UNII
- 6 U665W3ZZE · 6U665W3ZZE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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