-
Name
3-CHLORO BENZOTRICHLORIDE
- EINECS 218-376-1
- CAS No. 2136-81-4
- Article Data7
- CAS DataBase
- Density 1.505g/cm3
- Solubility
- Melting Point 0.6°C
- Formula C7H4Cl4
- Boiling Point 255 °C at 760 mmHg
- Molecular Weight 229.921
- Flash Point 101.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Toluene, m,a,a,a-tetrachloro- (7CI,8CI);1-Chloro-3-(trichloromethyl)benzene;3-Chlorobenzotrichloride;NSC 59737;m-Chloro(trichloromethyl)benzene;m-Chlorobenzotrichloride;
- PSA 0.00000
- LogP 4.16670
Benzene,1-chloro-3-(trichloromethyl)- Specification
The Benzene,1-chloro-3-(trichloromethyl)-, with CAS registry number 2136-81-4, has the systematic name of 1-chloro-3-(trichloromethyl)benzene. Besides this, it is also called 3-Chloro benzotrichloride. And the chemical formula of this chemical is C7H4Cl4. What's more, its EINECS is 218-376-1.
Physical properties of Benzene,1-chloro-3-(trichloromethyl)-: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 579.64; (6)ACD/BCF (pH 7.4): 579.64; (7)ACD/KOC (pH 5.5): 3307.3; (8)ACD/KOC (pH 7.4): 3307.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 50.18 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 19.89×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.505 g/cm3; (19)Flash Point: 101.9 °C; (20)Enthalpy of Vaporization: 47.26 kJ/mol; (21)Boiling Point: 255 °C at 760 mmHg; (22)Vapour Pressure: 0.0268 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1cc(Cl)ccc1
(2)InChI: InChI=1/C7H4Cl4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
(3)InChIKey: ZVPXXRHACIEOFJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H4Cl4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
(5)Std. InChIKey: ZVPXXRHACIEOFJ-UHFFFAOYSA-N
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