3,5-Dichlorobenzamide

HCID 22289

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5980-23-4
Standard SMILES: NC(=O)c1cc(Cl)cc(Cl)c1
InChIKey: DELNZTRPJTUOIP-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO
Average molar mass: 190.02 g/mol
Monoisotopic mass: 188.9748192

Names & identifiers

Preferred name: 3,5-Dichlorobenzamide
IUPAC: 3,5-dichlorobenzamide
English name: 3,5-Dichlorobenzamide
Molecular formula: C7H5Cl2NO
Molecular weight: 190.03

Names & synonyms

3,5-DICHLOROBENZAMIDE5980-23-4DTXSID30208537RefChem:91484DTXCID80131028MFCD00057644Benzamide, 3,5-dichloro-3,5-dichloro-benzamideSCHEMBL349820AKOS003519184GS-0040PS-3143

Show more names

3,5-DICHLOROBENZAMIDE 99%

CS-0206081E82458FT-0614553A832474SCHEMBL349819SCHEMBL11538064SBB091044SY101069

Database identifiers

CAS: 5980-23-4
PubChem CID: 22289
DTXSID: DTXSID30208537

Properties

Computed structural properties

XLogP: 2.4
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: 153

Physicochemical properties

Melting point: 160 °C · 160 °C
Boiling point: 264.2 · 264.2±30.0 °C(Predicted)
Density: 1.439 · 1.439±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 14.82 · 14.82±0.50(Predicted)
form: Solid
Appearance: White to off-white Solid
BRN: 2249768 · 2249768
InChI: InChI=1S/C7H5Cl2NO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
InChIKey: DELNZTRPJTUOIP-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC(Cl)=CC(Cl)=C1
CAS DataBase Reference: 5980 · 5980-23-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-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
Safety Statements: 22 · 22-24/25
Hazard Note: Irritant
HS Code: 2924297099 · 2924297099

Safety & regulation

Safety data

hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Hazard statements: H302-H315-H319-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