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5510-87-2

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Basic Information
CAS No.: 5510-87-2
Name: (2-methylphenyl)phosphonous dichloride
Article Data: 11
Molecular Structure:
Molecular Structure of 5510-87-2 ((2-methylphenyl)phosphonous dichloride)
Formula: C7H7Cl2P
Molecular Weight: 193.012
Synonyms: (2-Methylphenyl)phosphonous dichloride; phosphonous dichloride, P-(2-methylphenyl)-; LogP
Boiling Point: 236.8 °C at 760 mmHg
Flash Point: 97 °C
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Specification

The Phosphonousdichloride, P-(2-methylphenyl)- has CAS registry number 5510-87-2. This chemical's molecular formula is C7H7Cl2P and molecular weight is 193.01. What's more, its systematic name is (2-methylphenyl)phosphonous dichloride. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Phosphonousdichloride, P-(2-methylphenyl)- are: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4024.81; (6)ACD/BCF (pH 7.4): 4024.81; (7)ACD/KOC (pH 5.5): 13239.45; (8)ACD/KOC (pH 7.4): 13239.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.59 Å2; (13)Flash Point: 97 °C; (14)Enthalpy of Vaporization: 45.44 kJ/mol; (15)Boiling Point: 236.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0714 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccccc1P(Cl)Cl
(2)InChI: InChI=1/C7H7Cl2P/c1-6-4-2-3-5-7(6)10(8)9/h2-5H,1H3
(3)InChIKey: REJUONUIORHCPY-UHFFFAOYAJ