3,5-Dichlorobenzoyl chloride
Basic information
- CAS
2905-62-6- Standard SMILES
O=C(Cl)c1cc(Cl)cc(Cl)c1- InChIKey
GGHLXLVPNZMBQR-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O
- Average molar mass
- 209.5 g/mol
- Monoisotopic mass
- 207.924948
Names & identifiers
- Preferred name
- 3,5-Dichlorobenzoyl chloride
- IUPAC
- 3,5-dichlorobenzoyl chloride
- English name
- 3,5-Dichlorobenzoyl chloride
- Molecular formula
- C7H3Cl3O
- Molecular weight
- 209.46
Names & synonyms
3,5-Dichlorobenzoyl chloride2905-62-6Benzoyl chloride, 3,5-dichloro-DTXSID1027506EINECS 220-813-6RH-24,2993,5-DICHLOROBENZOIC ACID CHLORIDEJ149.672GDTXCID107506S09182623NEC 220-813-6RefChem:486757
Show more names
DCBC3,5-DichlorobenzoylSKL1308BUTTPARK 45\07-363,5 Dicloro Benzoyl Cloride3,5-dichloro-benzoylchloridDICHLOROBENZOYLCHLORIDE(3,5-)3,5-dichlorobenzeneformylchloro
220-813-6MFCD000098173,5-dichlorobenzoylchlorideUNII-S09182623NSCHEMBL932823,5-dichloro-benzoyl chlorideCHEMBL3184849Tox21_200629
Database identifiers
- CAS
2905-62-6- PubChem CID
- 76191
- DTXSID
DTXSID1027506- ChEMBL
CHEMBL3184849- UNII
- S09182623N
- EC Number
- 220-813-6
- Nikkaji
- J149.672G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 28 °C · 28 °C (lit.)
- Boiling point
- 135 · 135-137 °C/25 mmHg (lit.)
- Density
- 135 · 135
- vapor pressure
- 0.1 mm · 0.1 mm Hg ( 32 °C)
- refractive index
- 20 · n20/D 1.582(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator (+4°C)
- solubility
- soluble in Benzene,Toluene
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- Sensitive
- Moisture Sensitive
- BRN
- 1940681 · 1940681
- InChI
- 1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
- InChIKey
- GGHLXLVPNZMBQR-UHFFFAOYSA-N
- SMILES
- ClC(=O)c1cc(Cl)cc(Cl)c1
- LogP
- 3.32 · 3.32
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
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 3,5-dichlorobenzoyl chloride (EC: 220-813-6)
3,5-Dichlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DM6636766
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29163900
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 3,5-dichloro-: INACTIVE
Applications
Uses3,5-Dichlorobenzoyl chloride is a useful intermediate for organic synthesis and other pharmaceutical processes.
Uses3,5-Dichlorobenzoyl chloride has been used in the preparation of:N-(1,1-dimethylpropynyl)-3,5-dichlorobenzamide, herbicide(3,5-dichlorophenyl)(2-(4-methoxyphenyl)-5-methylbenzofuran-3-yl)methanone
Upstream & downstream products
Downstream products
Related reactions
122 records
Compound notes
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