4-Bromothiophene-3-carbaldehyde supplier

Name
3-BROMO-4-FORMYLTHIOPHENE
EINECS
CAS No. 18791-78-1
Article Data25
CAS DataBase
Density 1.789 g/cm³
Solubility
Melting Point
Formula C₅H₃BrOS
Boiling Point 237.885 °C at 760 mmHg
Molecular Weight 191.048
Flash Point 97.67 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Bromo-3-thiophenecarboxaldehyde;3-Bromo-4-formylthiophene;4-Bromo-3-formylthiophene;4-Bromo-3-thiophenecarbaldehyde;
PSA 45.31000
LogP 2.32310

4-Bromothiophene-3-carbaldehyde 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

Product Name

3-BROMO-4-FORMYLTHIOPHENE

4-Bromothiophene-3-carbaldehyde Specification

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