-
Name
4-(chloromethyl)-2-nitroanisole
- EINECS 228-949-8
- CAS No. 6378-19-4
- Article Data13
- CAS DataBase
- Density 1.317 g/cm3
- Solubility
- Melting Point 87-88℃
- Formula C8H8ClNO3
- Boiling Point 343 °C at 760 mmHg
- Molecular Weight 201.609
- Flash Point 161.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Anisole,4-(chloromethyl)-2-nitro- (6CI,7CI,8CI);3-Nitro-4-methoxybenzyl chloride;4-(Chloromethyl)-1-(methyloxy)-2-nitrobenzene;4-Methoxy-3-nitrobenzylchloride;NSC 19935;
- PSA 55.05000
- LogP 2.86540
Benzene,4-(chloromethyl)-1-methoxy-2-nitro- Specification
The Benzene, 4-(chloromethyl)-1-methoxy-2-nitro-, with the CAS registry number 6378-19-4, is also known as 4-(Chloromethyl)-2-nitroanisole. And its EINECS registry number is 228-949-8. This chemical's molecular formula is C8H8ClNO3 and molecular weight is 201.60702. What's more, its IUPAC name is 4-(Chloromethyl)-1-methoxy-2-nitrobenzene.
Physical properties about Benzene, 4-(chloromethyl)-1-methoxy-2-nitro- are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.45; (6)ACD/BCF (pH 7.4): 19.45; (7)ACD/KOC (pH 5.5): 291.24; (8)ACD/KOC (pH 7.4): 291.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 49.24 cm3; (15)Molar Volume: 152.9 cm3; (16)Polarizability: 19.52×10-24 cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 161.2 °C; (20)Enthalpy of Vaporization: 56.36 kJ/mol; (21)Boiling Point: 343 °C at 760 mmHg; (22)Vapour Pressure: 0.000144 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(ccc1OC)CCl
(2) InChI: InChI=1/C8H8ClNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3
(3) InChIKey: DKRYRFRNGLTDMB-UHFFFAOYAL
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