2,4-Dichlorobenzamide

HCID 75556

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2447-79-2
Standard SMILES: NC(=O)c1ccc(Cl)cc1Cl
InChIKey: XXFUNTSOBHSMBU-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO
Average molar mass: 190.02 g/mol
Monoisotopic mass: 188.97481914

Names & identifiers

Preferred name: 2,4-Dichlorobenzamide
IUPAC: 2,4-dichlorobenzamide
English name: 2,4-Dichlorobenzamide
Molecular formula: C7H5Cl2NO
Molecular weight: 190.03

Names & synonyms

2,4-Dichlorobenzamide2447-79-2Benzamide, 2,4-dichloro-UNII-ZX274BU5RAZX274BU5RAEINECS 219-505-42,4-CHLOROBENZAMIDEDTXSID5022190AI3-09766XXFUNTSOBHSMBU-UHFFFAOYSA-NSC-39528NSC 39528

Show more names

Furosemide Impurity 592,4-Dichlorobenzamide>2,4-Dichlorobenzamide98%2,4-Dichlorobenzamide 98%1-[1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-(propan-2-ylamino)ethanol hydrochloride

RefChem:82376DTXCID102190219-505-4InChI=1/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)XXFUNTSOBHSMBU-UHFFFAOYSA-NMFCD00007974SCHEMBL325007STR01087

Database identifiers

CAS: 2447-79-2
PubChem CID: 75556
DTXSID: DTXSID5022190
ChEMBL: CHEMBL3989126
UNII: ZX274BU5RA
EC Number: 219-505-4
Nikkaji: J216.088I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 191 · 191-194 °C(lit.)
Boiling point: 279.7 · 279.7±30.0 °C(Predicted)
Density: 1.286 · 1.2860 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 15.08 · 15.08±0.50(Predicted)
color: White to off-white
BRN: 2328193 · 2328193
CAS DataBase Reference: 2447 · 2447-79-2(CAS DataBase Reference)
FDA UNII: 274 BU5RA · ZX274BU5RA
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29242990 · 29242990

Safety & regulation

GHS classification

GHS Classification · 4 items

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.