Basic information
- CAS
96749-32-5- Standard SMILES
Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1- InChIKey
PXBPMCNEAZKAKS-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO
- Average molar mass
- 245.7 g/mol
- Monoisotopic mass
- 245.0607417
Names & identifiers
- Preferred name
- 3'-Chloro-M-toluanilide
- IUPAC
- N-(3-chlorophenyl)-3-methylbenzamide
- English name
- N-(3-Chlorophenyl)-3-MethylbenzaMide, 97%
- Molecular formula
- C14H12ClNO
- Molecular weight
- 245.7
Names & synonyms
96749-32-5RefChem:4846643'-Chloro-M-toluanilide666-959-8N-(3-chlorophenyl)-3-methylbenzamideBenzamide, N-(3-chlorophenyl)-3-methyl-Cambridge id 5281853CBDivE_014461SCHEMBL4247170PXBPMCNEAZKAKS-UHFFFAOYSA-NDTXSID901376837STK402014
Show more names
N-(3-Chlorophenyl)-3-MethylbenzaMide, 97%
AKOS002960011DB-213922ST50549630N-(3-chlorophenyl)(3-methylphenyl)carboxamideAG-205/03779037
Database identifiers
- CAS
96749-32-5- PubChem CID
- 531963
- DTXSID
DTXSID901376837- EC Number
- 666-959-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 84 · 84-85 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 305.6 · 305.6±35.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 13.34 · 13.34±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, 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 CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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