Basic information
- CAS
2866-82-2- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1ccccc1- InChIKey
PJFPJLMLHHTWDZ-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.0450916
Names & identifiers
- Preferred name
- Benzamide, N-(4-chlorophenyl)-
- IUPAC
- N-(4-chlorophenyl)benzamide
- English name
- 4'-Chlorobenzanilide, 98%
- Molecular formula
- C13H10ClNO
- Molecular weight
- 231.68
Names & synonyms
N-(4-Chlorophenyl)benzamide2866-82-24'-ChlorobenzanilideBenzamide, N-(4-chlorophenyl)-Benzanilide, 4'-chloro-4'-ChlorobenzanideN-(p-Chlorophenyl)benzamide4-chloro-benzanilideBRN 1875430AI3-30843DTXSID401828194-12-00-01181 (Beilstein Handbook Reference)
Show more names
SKL775N-(4-chlorophenyl)-benzamide reference substance
NSC 83620RefChem:561561DTXCID30105310633-031-9N-(4-Chloro-phenyl)-benzamideN-(4-chlorophenyl)benzenecarboxamideMFCD00018578N-Phenyl-4-chlorobenzamide; N-Phenyl-p-chlorobenzamide; NSC 404952
Database identifiers
- CAS
2866-82-2- PubChem CID
- 96646
- DTXSID
DTXSID40182819- ChEMBL
CHEMBL2234176- EC Number
- 633-031-9
- Nikkaji
- J61.586B
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 230
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 195 °C · 195 °C
- Boiling point
- 277 · 277.0±23.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 12 · 12+-.0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- Toxicity
- 50 · rat,LD50,oral,> 500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 10, 1953.
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- rat,LD50,oral,> 500mg/kg (500mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 10, 1953.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
安徽合诺生物科技有限公司0555-2761852
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
安徽合诺生物科技有限公司18455579438
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
Related reactions
1 records
Compound notes
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