CAS No.6627-53-8,5-CHLORO-2-NITROANISOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6627-53-8
Name:	5-CHLORO-2-NITROANISOLE

Formula:	C₇H₆ClNO₃
Molecular Weight:	187.583
Synonyms:	Anisole,5-chloro-2-nitro- (6CI,8CI);1-Chloro-3-methoxy-4-nitrobenzene;2-Methoxy-4-chloronitrobenzene;2-Nitro-5-chloroanisole;4-Chloro-2-(methyloxy)-1-nitrobenzene;4-Chloro-2-methoxy-1-nitrobenzene;4-Chloro-2-methoxynitrobenzene;5-Chloro-2-nitroanisole;5-Chloro-2-nitrophenylmethyl ether;NSC 60112;
EINECS:	229-594-1
Density:	1.366 g/cm³
Melting Point:	70-72°C(lit.)
Boiling Point:	289.1 ºC at 760 mmHg
Flash Point:	128.7 ºC
Appearance:	slightly yellow to green crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	55.05000
LogP:	2.78000

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Specification

The Benzene,4-chloro-2-methoxy-1-nitro-, with the CAS registry number 6627-53-8, is also known as 5-Chloro-2-nitrotoluene. It belongs to the product categories of NitroCompounds; Miscellaneous; Anisole; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 229-594-1. This chemical's molecular formula is C₇H₆ClNO₃ and formula weight is 187.58. What's more, its IUPAC name is 4-chloro-2-methoxy-1-nitrobenzene.

Physical properties of Benzene,4-chloro-2-methoxy-1-nitro- are: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2.61; (3)ACD/LogD (pH 7.4): 2.61; (4)ACD/BCF (pH 5.5): 57.01; (5)ACD/BCF (pH 7.4): 57.01; (6)ACD/KOC (pH 5.5): 628.85; (7)ACD/KOC (pH 7.4): 628.85; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 55.05 Å²; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 44.37 cm³; (14)Molar Volume: 137.2 cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.366 g/cm³; (17)Flash Point: 128.7 °C; (18)Enthalpy of Vaporization: 50.72 kJ/mol; (19)Boiling Point: 289.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00389 mmHg at 25°C.

Uses of Benzene,4-chloro-2-methoxy-1-nitro-: it can be used to produce (5-chloro-3-methoxy-2-nitrophenyl)acetonitrile at the temperature of -20 - -10°C. It will need reagent tBuOK and solvent dimethylformamide. The reaction time is 30 min. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
(3)InChIKey: ABEUJUYEUCCZQF-UHFFFAOYSA-N