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| CAS No.: | 26197-93-3 |
|---|---|
| Name: | 4-BROMO-THIOBENZAMIDE |
| Article Data: | 31 |
| Molecular Structure: | |
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|
|
| Formula: | C7H6BrNS |
| Molecular Weight: | 216.101 |
| Synonyms: | Benzamide,p-bromothio- (8CI);4-Bromobenzenecarbothioamide;NSC281618;p-Bromothiobenzamide; |
| Density: | 1.635 g/cm3 |
| Melting Point: | 141-143 °C |
| Boiling Point: | 294.693 °C at 760 mmHg |
| Flash Point: | 132.026 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-43 |
| Safety: | 36/37 |
| PSA: | 58.11000 |
| LogP: | 2.78360 |
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- Total:28 Page 1 of 1 1
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Specification
This chemical is called Benzenecarbothioamide, 4-bromo-, and its systematic name is 4-bromobenzenecarbothioamide. With the molecular formula of C7H6BrNS, its molecular weight is 216.10. The CAS registry number of this chemical is 26197-93-3. Additionally, its product categories are Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds.
Other characteristics of the Benzenecarbothioamide, 4-bromo- can be summarised as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.43; (6)ACD/BCF (pH 7.4): 41.43; (7)ACD/KOC (pH 5.5): 500.36; (8)ACD/KOC (pH 7.4): 500.38; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 50.13 cm3; (15)Molar Volume: 132.1 cm3; (16)Polarizability: 19.87×10-24cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.634 g/cm3; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 53.44 kJ/mol; (21)Boiling Point: 294.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0016 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(c1ccc(Br)cc1)N
2.InChI: InChI=1/C7H6BrNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
3.InChIKey: AIPANIYQEBQYGC-UHFFFAOYAA