3-Iodobenzoyl chloride

HCID 74378

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1711-10-0
Standard SMILES: O=C(Cl)c1cccc(I)c1
InChIKey: DTELTOREECFDBC-UHFFFAOYSA-N
Molecular formula: C7H4ClIO
Average molar mass: 266.46 g/mol
Monoisotopic mass: 265.89954043

Names & identifiers

Preferred name: 3-Iodobenzoyl chloride
IUPAC: 3-iodobenzoyl chloride
English name: 3-Iodobenzoyl chloride
Molecular formula: C7H4ClIO
Molecular weight: 266.46

Names & synonyms

3-Iodobenzoyl chloride1711-10-0Benzoyl chloride, 3-iodo-M-IODOBENZOYL CHLORIDEX9F9HN364BEINECS 216-979-4NSC-93251DTXSID70169012BENZOYL CHLORIDE, M-IODO-NSC 93251RefChem:94454DTXCID1091503

Show more names

SKL1183Benzoylchloride,3-iodo-3-IodobenzoylChloride>3-Iodobenzoic acid chloride3-Iodobenzoyl chloride, 97+%3-IODOBENZOYL CHLORIDE ISO 9001：2015 REACH

216-979-43-IodobenzoylchlorideMFCD020939343-iodo-benzoyl chlorideNSC932513-iodo benzoyl chlorideNCIOpen2_005900UNII-X9F9HN364B

Database identifiers

CAS: 1711-10-0
PubChem CID: 74378
DTXSID: DTXSID70169012
UNII: X9F9HN364B
EC Number: 216-979-4
Nikkaji: J203.100K

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 23 · 23-25°C
Boiling point: 159 · 159-160°C 23mm
Density: 1.932 · 1.932
refractive index: 1.6415 · 1.6415
Flash point: 159 · 159-160°C/23mm
form: powder to lump to clear liquid
color: White or Colorless to Yellow to Orange
Water Solubility: Reacts with water.
Sensitive: Moisture & Light Sensitive
BRN: 1860418 · 1860418
FDA UNII: 9 F9HN364B · X9F9HN364B
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Hazard Codes: C,Xi
Risk Statements: 34 · 34-41
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2916399090 · 2916399090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3261
hs_code: 2916399090
risk_code: 34-41
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363