Products Categories
| CAS No.: | 17100-63-9 |
|---|---|
| Name: | METHYL 4-BROMO-3-METHOXYBENZOATE |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9BrO3 |
| Molecular Weight: | 245.073 |
| Synonyms: | m-Anisicacid, 4-bromo-, methyl ester (8CI);4-Bromo-3-methoxybenzoic acid methyl ester;Methyl 4-bromo-3-(methyloxy)benzoate;Methyl 4-bromo-3-methoxybenzoate; |
| Density: | 1.462g/cm3 |
| Melting Point: | 58-61°C |
| Boiling Point: | 306.008 °C at 760 mmHg |
| Flash Point: | 138.869 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
| PSA: | 35.53000 |
| LogP: | 2.24430 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 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
What can I do for you?
Get Best Price
Specification
The Benzoic acid,4-bromo-3-methoxy-, methyl ester, with CAS registry number 17100-63-9, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes. It has the systematic name of methyl 4-bromo-3-methoxybenzoate. This chemical should be kept cold. And the chemical formula of this chemical is C9H9BrO3.
Physical properties of Benzoic acid,4-bromo-3-methoxy-, methyl ester: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 59; (7)ACD/KOC (pH 5.5): 646; (8)ACD/KOC (pH 7.4): 646; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 52.395 cm3; (15)Molar Volume: 167.513 cm3; (16)Polarizability: 20.771×10-24cm3; (17)Surface Tension: 39.251 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 138.869 °C; (20)Enthalpy of Vaporization: 54.649 kJ/mol; (21)Boiling Point: 306.008 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1Br)C(=O)OC
(2)InChI: InChI=1/C9H9BrO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
(3)InChIKey: XLKDKHRGIJWOSN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9BrO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
(5)Std. InChIKey: XLKDKHRGIJWOSN-UHFFFAOYSA-N