Products Categories
| CAS No.: | 18791-78-1 |
|---|---|
| Name: | 3-BROMO-4-FORMYLTHIOPHENE |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H3BrOS |
| Molecular Weight: | 191.048 |
| Synonyms: | 4-Bromo-3-thiophenecarboxaldehyde;3-Bromo-4-formylthiophene;4-Bromo-3-formylthiophene;4-Bromo-3-thiophenecarbaldehyde; |
| Density: | 1.789 g/cm3 |
| Boiling Point: | 237.885 °C at 760 mmHg |
| Flash Point: | 97.67 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 45.31000 |
| LogP: | 2.32310 |
- 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
What can I do for you?
Get Best Price
Specification
The 3-Thiophenecarboxaldehyde,4-bromo- is an organic compound with the formula C5H3BrOS. The IUPAC name of this chemical is 4-bromothiophene-3-carbaldehyde. With the CAS registry number 18791-78-1, it is also named as 4-Bromo-3-thiophenecarbaldehyde. The product's categories are Aldehyde; Organohalides; Thiophene.
The other characteristics of 3-Thiophenecarboxaldehyde,4-bromo- can be summarized as: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.07; (6)ACD/BCF (pH 7.4): 13.07; (7)ACD/KOC (pH 5.5): 219.06; (8)ACD/KOC (pH 7.4): 219.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 39.08 cm3; (14)Molar Volume: 106.7 cm3; (15)Polarizability: 15.49×10-24 cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Enthalpy of Vaporization: 47.47 kJ/mol; (18)Vapour Pressure: 0.0437 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 189.908798; (21)MonoIsotopic Mass: 189.908798; (22)Topological Polar Surface Area: 45.3; (23)Heavy Atom Count: 8; (24)Complexity: 96.4.
People can use the following data to convert to the molecule structure.
1. SMILES:O=Cc1cscc1Br
2. InChI:InChI=1/C5H3BrOS/c6-5-3-8-2-4(5)1-7/h1-3H
3. InChIKey:ZDVHJQOCVBTMOF-UHFFFAOYAS
4. Std. InChI:InChI=1S/C5H3BrOS/c6-5-3-8-2-4(5)1-7/h1-3H
5. Std. InChIKey:ZDVHJQOCVBTMOF-UHFFFAOYSA-N