2-Iodobenzoyl chloride
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Basic information
- CAS
609-67-6- Standard SMILES
O=C(Cl)c1ccccc1I- InChIKey
MVIVDSWUOGNODP-UHFFFAOYSA-N- Molecular formula
- C7H4ClIO
- Average molar mass
- 266.46 g/mol
- Monoisotopic mass
- 265.89954043
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>2-Iodobenzoylchloride,97%2-Iodobenzoic acid chloride2-Iodobenzoyl chloride, 98+%9-(phenylmethyl)phenanthrene
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 propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- 2916399090
- risk_code
- 34
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 2-iodo-: INACTIVE
Applications
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
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
86 records
Compound notes
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