Products Categories
| CAS No.: | 21120-65-0 |
|---|---|
| Name: | 4-(4-METHYLPHENOXY)BENZOIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H12O3 |
| Molecular Weight: | 228.247 |
| Synonyms: | Benzoicacid, p-(p-tolyloxy)- (6CI,8CI);4-(4-Methylphenoxy)benzoic acid;NSC 157595; |
| Density: | 1.208 g/cm3 |
| Melting Point: | 178-182 °C |
| Boiling Point: | 375.3 °C at 760 mmHg |
| Flash Point: | 142.8 °C |
| Hazard Symbols: |
 Xn N
|
| Risk Codes: | 22-36-50/53 |
| Safety: | 26-60-61 |
| PSA: | 46.53000 |
| LogP: | 3.48550 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:13 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
This chemical is called Benzoic acid,4-(4-methylphenoxy)-, and its systematic name is 4-(4-methylphenoxy)benzoic acid. With the molecular formula of C14H12O3, its molecular weight is 228.24. The CAS registry number of the chemical is 21120-65-0.
Other characteristics of Benzoic acid,4-(4-methylphenoxy)- can be summarised as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 24.58; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 160.25; (8)ACD/KOC (pH 7.4): 3.81; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 64.45 cm3; (15)Molar Volume: 188.8 cm3; (16)Polarizability: 25.55×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 142.8 °C; (20)Enthalpy of Vaporization: 65.7 kJ/mol; (21)Boiling Point: 375.3 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes. Rinse immediately with plenty of water and seek medical advice if contacting with eyes. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccc(Oc1ccc(cc1)C)cc2
2.InChI: InChI=1/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
3.InChIKey: DCDYPMNXCDXNJZ-UHFFFAOYAT
4.Std. InChI: InChI=1S/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
5.Std. InChIKey: DCDYPMNXCDXNJZ-UHFFFAOYSA-N