3-Iodobenzamide

HCID 202425

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Basic information

CAS: 10388-19-9
Standard SMILES: NC(=O)c1cccc(I)c1
InChIKey: HEMYUAPEXJWFCP-UHFFFAOYSA-N
Molecular formula: C7H6INO
Average molar mass: 247.03 g/mol
Monoisotopic mass: 246.94941

Names & identifiers

Preferred name: 3-Iodobenzamide
IUPAC: 3-iodobenzamide
English name: 3-IODOBENZAMIDE
Molecular formula: C7H6INO
Molecular weight: 247.03

Names & synonyms

3-Iodobenzamide10388-19-9Benzamide, 3-iodo-m-IodobenzamideBenzamide, m-iodo-BRN 24342813-Iodobenzoic amideDTXSID101461250-09-00-00366 (Beilstein Handbook Reference)RefChem:280092DTXCID4068616600-498-5

Show more names

HEMYUAPEXJWFCP-UHFFFAOYSA-NMFCD00143169m-iodo-benzamid3-iodo-benzamid3-iodo-benzamide3-Iodobenzamide #orb1987252SCHEMBL1259478

Database identifiers

CAS: 10388-19-9
PubChem CID: 202425
DTXSID: DTXSID10146125
EC Number: 600-498-5
Nikkaji: J211.366J

Properties

Computed structural properties

XLogP: 2.5
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: 138

Physicochemical properties

Melting point: 187 °C · 187 °C
Boiling point: 322.5 · 322.5±25.0 °C(Predicted)
Density: 1.897 · 1.897±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: soluble in Dimethylformamide
form: powder to crystal
pka: 15.44 · 15.44±0.50(Predicted)
color: White to Light yellow
CAS DataBase Reference: 10388 · 10388-19-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2924.29 · 2924.29.7790

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code: 2924.29.7790
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313