2-Iodobenzoyl chloride (HCID 69112)

Names & identifiers

Preferred name: 2-Iodobenzoyl chloride
IUPAC: 2-iodobenzoyl chloride
English name: 2-IODOBENZOYL CHLORIDE
Molecular formula: C7H4ClIO
Molecular weight: 266.46

Names & synonyms

2-Iodobenzoyl chloride609-67-6Benzoyl chloride, 2-iodo-EINECS 210-196-1DTXSID4060573Benzoyl chloride, 2iodoRefChem:473773DTXCID5042906210-196-12-iodobenzoylchlorideo-Iodobenzoyl chlorideMFCD00001040

Show more names

SKL12152-iodo-benzoylchlorid2-IodobenzoylChloride>Benzoyl chloride, 2-iodo-2-Iodobenzoylchloride,97%2-Iodobenzoic acid chloride9-(phenylmethyl)phenanthrene2-Iodobenzoyl chloride, 98+%

iodobenzoyl chlorideo-iodobenzoylchloride2-iodobezoyl chlorideo-iodo-benzoylchloride2-iodobenzoic chloride2-iodo-benzoyl chloride2-iodo-benzoic acid chlorideSCHEMBL502454

Database identifiers

CAS: 609-67-6
PubChem CID: 69112
DTXSID: DTXSID4060573
EC Number: 210-196-1
Nikkaji: J96.174D

Properties

Computed structural properties

XLogP: 3.4
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

Chemical ClassesToxic Gases & Vapors -> Acid Halides

Physical DescriptionOff-white solid; mp = 27-32 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 27 · 27-31 °C(lit.)
Boiling point: 105 · 105-106 °C1 mm Hg(lit.)
Density: 1.932 · 1.932
Flash point: 110 °C · >110°C
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: soluble in Toluene
form: powder to lump
color: White to Light yellow to Dark green
Water Solubility: Reacts with water.
Sensitive: Moisture & Light Sensitive
BRN: 2042672 · 2042672
InChI: 1S/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKey: MVIVDSWUOGNODP-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccccc1I
CAS DataBase Reference: 609 · 609-67-6(CAS DataBase Reference)
EPA Substance Registry System: 2 · Benzoyl chloride, 2-iodo- (609-67-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 21 · 21-19
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163990 · 29163990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information2-Iodobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzoyl chloride.

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 21-19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29163990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoyl chloride, 2-iodo-: INACTIVE

Applications · 2 items

Uses2-Iodobenzoyl chloride has been used in palladium-catalyzed synthesis of carbomethoxy functional group-induced isoindolin-1-ones, preparation of starting materials required for the synthesis of novel cyclic derivatives of pentavalent iodine, benziodazole oxides.

Uses2-Iodobenzoyl chloride has been used in:palladium-catalyzed synthesis of carbomethoxy functional group-induced isoindolin-1-onespreparation of starting materials required for the synthesis of novel cyclic derivatives of pentavalent iodine, benziodazole oxides