-
Name
4-METHOXY-3-NITROBENZOYL CHLORIDE
- EINECS
- CAS No. 10397-28-1
- Article Data27
- CAS DataBase
- Density 1.421 g/cm3
- Solubility
- Melting Point 43-46 °C
- Formula C8H6ClNO4
- Boiling Point 357.785 °C at 760 mmHg
- Molecular Weight 215.593
- Flash Point 170.183 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms p-Anisoylchloride, 3-nitro- (7CI,8CI);3-Nitro-4-methoxybenzoyl chloride;3-Nitro-p-anisoyl chloride;4-Methoxy-3-nitrobenzoyl chloride;
- PSA 72.12000
- LogP 2.50560
Benzoyl chloride,4-methoxy-3-nitro- Specification
The Benzoyl chloride,4-methoxy-3-nitro- is an organic compound with the formula C8H6ClNO4. The systematic name of this chemical is 4-methoxy-3-nitrobenzoyl chloride. With the CAS registry number 10397-28-1, it is also named as 3-Nitro-4-methoxybenzoic acid chloride. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
The other characteristics of Benzoyl chloride,4-methoxy-3-nitro- can be summarized as: (1)ACD/LogP: 1.65; (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): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 353; (8)ACD/KOC (pH 7.4): 353; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 49.721 cm3; (15)Molar Volume: 151.686 cm3; (16)Polarizability: 19.711×10-24 cm3; (17)Surface Tension: 49.956 dyne/cm; (18)Density: 1.421 g/cm3; (19)Flash Point: 170.183 °C; (20)Enthalpy of Vaporization: 60.32 kJ/mol; (21)Boiling Point: 357.785 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:COc1ccc(cc1N(=O)=O)C(Cl)=O
2. InChI:InChI=1/C8H6ClNO4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3
3. InChIKey:FUXMQFBGQSNVBM-UHFFFAOYAG
4. Std. InChI:InChI=1S/C8H6ClNO4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3
5. Std. InChIKey:FUXMQFBGQSNVBM-UHFFFAOYSA-N
Related Products
- Benzoyl azide
- Benzoyl azide, 4-nitro-
- Benzoyl bromide
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- Benzoyl chloride
- Benzoyl chloride, 2-(2-methoxyethoxy)- (9CI)
- Benzoyl chloride, 2-bromo-5-methoxy-
- Benzoyl chloride, 4-(methylsulfonyl)-2-nitro-
- Benzoyl chloride, 4-amino-
- Benzoyl chloride,2-(2-thienyl)-
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