Benzaldehyde,4-[(3,4-dichlorophenyl)methoxy]-3-nitro- supplier

Name
4-(3,4-DICHLOROBENZYLOXY)-3-NITROBENZALDEHYDE
EINECS
CAS No. 175136-20-6
Article Data2
CAS DataBase
Density 1.472g/cm³
Solubility
Melting Point
Formula C₁₄H₉Cl₂NO₄
Boiling Point 493.3 °C at 760 mmHg
Molecular Weight 326.136
Flash Point 252.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms TIMTEC-BB SBB002396;4-(3,4-DICHLOROBENZYLOXY)-3-NITROBENZALDEHYDE;4-[(3,4-DICHLOROBENZYL)OXY]-3-NITROBENZENECARBALDEHYDE
PSA 72.12000
LogP 4.81630

Benzaldehyde,4-[(3,4-dichlorophenyl)methoxy]-3-nitro- Specification

The Benzaldehyde,4-[(3,4-dichlorophenyl)methoxy]-3-nitro-, with CAS registry number 175136-20-6, has the systematic name of 4-[(3,4-dichlorobenzyl)oxy]-3-nitrobenzaldehyde. This chemical may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C₁₄H₉Cl₂NO₄.

Physical properties of Benzaldehyde,4-[(3,4-dichlorophenyl)methoxy]-3-nitro-: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1292.86; (6)ACD/BCF (pH 7.4): 1292.86; (7)ACD/KOC (pH 5.5): 5872.81; (8)ACD/KOC (pH 7.4): 5872.81; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 80.5 cm³; (15)Molar Volume: 221.5 cm³; (16)Polarizability: 31.91×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.472 g/cm³; (19)Flash Point: 252.1 °C; (20)Enthalpy of Vaporization: 76.04 kJ/mol; (21)Boiling Point: 493.3 °C at 760 mmHg; (22)Vapour Pressure: 7.14E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)COc2ccc(C=O)cc2[N+]([O-])=O
(2)InChI: InChI=1/C14H9Cl2NO4/c15-11-3-1-10(5-12(11)16)8-21-14-4-2-9(7-18)6-13(14)17(19)20/h1-7H,8H2
(3)InChIKey: SVVIVJQFEIJBPS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H9Cl2NO4/c15-11-3-1-10(5-12(11)16)8-21-14-4-2-9(7-18)6-13(14)17(19)20/h1-7H,8H2
(5)Std. InChIKey: SVVIVJQFEIJBPS-UHFFFAOYSA-N

Product Name

4-(3,4-DICHLOROBENZYLOXY)-3-NITROBENZALDEHYDE

Benzaldehyde,4-[(3,4-dichlorophenyl)methoxy]-3-nitro- Specification

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