Basic information
- CAS
4638-48-6- Standard SMILES
O=C(Nc1ccccc1)c1cc(Cl)ccc1O- InChIKey
KGYNGVVNFRUOOZ-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0400063
Names & identifiers
- Preferred name
- 5-Chlorosalicylanilide
- IUPAC
- 5-chloro-2-hydroxy-N-phenylbenzamide
- English name
- 5-CHLOROSALICYLANILIDE
- Molecular formula
- C13H10ClNO2
- Molecular weight
- 247.68
Names & synonyms
5-Chlorosalicylanilide4638-48-6CHLOROSALICYLANILIDEDTXSID9037749WR 13084EINECS 225-065-4QI22Q9QE3IBRN 2216133AI3-50091UNII-QI22Q9QE3INSC-402600DTXCID7017749
Show more names
WR130845-Chlorosalicylanide5-CHLOROSALICYANILIDELABOTEST-BB LT004529005-chloro-salicylanilid5-Chlorosalicylanilide >N-Benzoyl-2-phenylethanamine2-HYDROXY-5-CHLOROBENZOYL ANILINE
3-12-00-00945 (Beilstein Handbook Reference)NSC 402600WR-13084RefChem:102403InChI=1/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17KGYNGVVNFRUOOZ-UHFFFAOYSA-N5-Chloro-2-hydroxy-N-phenylbenzamideBenzamide, 5-chloro-2-hydroxy-N-phenyl-
Database identifiers
- CAS
4638-48-6- PubChem CID
- 14869
- DTXSID
DTXSID9037749- ChEMBL
CHEMBL1892375- UNII
- QI22Q9QE3I
- EC Number
- 225-065-4
- Nikkaji
- J208.183K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
LogP3.98
Collision Cross Section151.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9037749]
Physicochemical properties
- Melting point
- 210 · 210-212 °C(lit.)
- Boiling point
- 336.3 · 336.3±32.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 6.66 · 6.66±0.18(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 4638 · 4638-48-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 22 Q9QE3I · QI22Q9QE3I
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- CV2450475
- hs_code
- 2924.29.7790
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-Phenethylbenzamide was used for the synthesis of deteurerium-labeled amides within microreactors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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