2-(Chloromethyl)benzoyl chloride supplier

Name
2-(Chloromethyl)benzoyl chloride
EINECS 255-998-2
CAS No. 42908-86-1
Article Data20
CAS DataBase
Density 1.317 g/cm³
Solubility
Melting Point 17°C(lit.)
Formula C₈H₆Cl₂O
Boiling Point 282.8 °C at 760 mmHg
Molecular Weight 189.041
Flash Point 113.9 °C
Transport Information
Appearance COA
Safety 26-36/37/39-45
Risk Codes 22-23-34-40
Molecular Structure
Hazard Symbols T
Synonyms o-Toluoylchloride, a-chloro- (6CI,7CI);2-(Chloromethyl)benzoyl chloride;o-Chloromethylbenzoyl chloride;
PSA 17.07000
LogP 2.80440

2-(Chloromethyl)benzoyl chloride Specification

The 2-(Chloromethyl)benzoyl chloride, with the CAS registry number 42908-86-1, is also known as Benzoyl chloride, 2-(chloromethyl)-. Its EINECS registry number is 255-998-2. This chemical's molecular formula is C₈H₆Cl₂O and molecular weight is 189.04. Its IUPAC name is called 2-(chloromethyl)benzoyl chloride.

Physical properties of 2-(Chloromethyl)benzoyl chloride: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.01; (6)ACD/BCF (pH 7.4): 45.01; (7)ACD/KOC (pH 5.5): 530.98; (8)ACD/KOC (pH 7.4): 530.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 46.26 cm³; (14)Molar Volume: 143.5 cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Density: 1.317 g/cm³; (17)Flash Point: 113.9 °C; (18)Enthalpy of Vaporization: 52.17 kJ/mol; (19)Boiling Point: 282.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00329 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CCl)C(=O)Cl
(2)InChI: InChI=1S/C8H6Cl2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2
(3)InChIKey: TXZFBHYDQGYOIT-UHFFFAOYSA-N

Product Name

2-(Chloromethyl)benzoyl chloride

2-(Chloromethyl)benzoyl chloride Specification

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