4-Chlorobenzamide

HCID 12084

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Basic information

CAS: 619-56-7
Standard SMILES: NC(=O)c1ccc(Cl)cc1
InChIKey: BLNVISNJTIRAHF-UHFFFAOYSA-N
Molecular formula: C7H6ClNO
Average molar mass: 155.58 g/mol
Monoisotopic mass: 155.01379149

Names & identifiers

Preferred name: 4-Chlorobenzamide
IUPAC: 4-chlorobenzamide
English name: 4-Chlorobenzamide
Molecular formula: C7H6ClNO
Molecular weight: 155.58

Names & synonyms

4-CHLOROBENZAMIDE619-56-7Benzamide, 4-chloro-p-ChlorobenzamideBenzamide, p-chloro-p-Chlorobenzoic acid amide260CV6K0MREINECS 210-601-1UNII-260CV6K0MRBRN 0774622AI3-09668DTXSID50210930

Show more names

Rebabide 16.4-chloro-benzamidp-chloro-benzamidBenzamide,4-chloro-Rebamipide Impurity ERight chlorobenzaMide4-Chlorobenzamide >

NSC 74687NSC-74687NSC 406894NSC-4068944-09-00-00985 (Beilstein Handbook Reference)RefChem:98546DTXCID80133421Benzamide, p-chloro-(6CI,7CI,8CI)

Database identifiers

CAS: 619-56-7
PubChem CID: 12084
DTXSID: DTXSID50210930
ChEMBL: CHEMBL121999
UNII: 260CV6K0MR
EC Number: 210-601-1
Nikkaji: J29.502G

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP1.53

Physicochemical properties

Melting point: 172 · 172-176 °C (lit.)
Boiling point: 290.2 · 290.2±23.0 °C(Predicted)
Density: 1.2187 · 1.2187 (rough estimate)
refractive index: 1.5618 · 1.5618 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Sparingly), Methanol (Slightly)
pka: 15.71 · 15.71±0.50(Predicted)
form: Fine Crystalline Powder
color: White
Water Solubility: slightly soluble
BRN: 774622 · 774622
InChI: 1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: BLNVISNJTIRAHF-UHFFFAOYSA-N
SMILES: NC(=O)c1ccc(Cl)cc1
CAS DataBase Reference: 619 · 619-56-7(CAS DataBase Reference)
FDA UNII: 260 CV6K0MR · 260CV6K0MR
NIST Chemistry Reference: 4 · Benzamide, 4-chloro-(619-56-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/22-36-22
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
RTECS: 2443811 · CV2443811
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.