Phthaloyl chloride
Properties
- Molecular formula
- C8H4Cl2O2
- Molar mass
- 203.02 g/mol
- Exact mass
- 201.9588 Da
- Density
- 1.409 g/mL (at 25 °C)
- Melting point
- 15.5 °C
- Boiling point
- 281.1 °C
- logP
- 2.44Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H290 May be corrosive to metals44.9% of notifiers
- H312 Harmful in contact with skin62% of notifiers
- H314 Causes severe skin burns and eye damage99.6% of notifiers
- H317 May cause an allergic skin reaction47% of notifiers
- H318 Causes serious eye damage46.2% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled47% of notifiers
- H335 May cause respiratory irritation69.2% of notifiers
Aggregated from 234 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P234, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, P501
Identifiers
CAS number
88-95-9SMILES
O=C(Cl)c1ccccc1C(=O)ClInChIKey
FYXKZNLBZKRYSS-UHFFFAOYSA-NInChI
InChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 1,2-Benzenedicarbonyl dichloride
- Phthalic acid dichloride
- Phthalyl chloride
- Phthalyl dichloride
- Phthalic chloride
- 1,2-Bis(chlorocarbonyl)benzene
- Phthalic dichloride
- Phthaloyl dichloride
- o-Phthalic acid dichloride
- NSC 44611
- 1,2-Phthaloyl dichloride
- o-Phthaloyl dichloride
Work with Phthaloyl chloride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Chlorobenzoyl chloride609-65-470 % similar
2-Bromobenzoyl chloride7154-66-770 % similar
2-Fluorobenzoyl chloride393-52-267 % similar
2-Iodobenzoyl chloride609-67-667 % similar
2-Methylbenzoyl chloride933-88-067 % similar
1-Naphthoyl chloride879-18-564 % similar
2-(Chloromethyl)benzoyl chloride42908-86-162 % similar
2-Methoxybenzoyl chloride21615-34-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds