Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenecarbothioamide,2-bromo- |
EINECS | N/A |
CAS No. | 30216-44-5 | Density | 1.634 g/cm3 |
PSA | 58.11000 | LogP | 2.78360 |
Solubility | N/A | Melting Point |
83 °C |
Formula | C7H6BrNS | Boiling Point | 307 °C at 760 mmHg |
Molecular Weight | 216.101 | Flash Point | 139.5 °C |
Transport Information | N/A | Appearance | White, beige to yellow powder |
Safety | 37/39-26 | Risk Codes | 36/37/38-22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Benzamide,o-bromothio- (8CI);Benzamide, o-bromothio-;2-Bromothiobenzamide;2-bromothiobenzamide,98%; |
Article Data | 13 |
The CAS register number of Benzenecarbothioamide,2-bromo- is 30216-44-5. It also can be called as Benzamide, o-bromothio- and the IUPAC name about this chemical is 2-bromobenzenecarbothioamide. The molecular formula about this chemical is C7H6BrNS and the molecular weight is 216.1. It belongs to the following product categories which include Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds and so on.
Physical properties about Benzenecarbothioamide,2-bromo- are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 14.73; (5)ACD/BCF (pH 7.4): 14.73; (6)ACD/KOC (pH 5.5): 238.66; (7)ACD/KOC (pH 7.4): 238.67; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.33 Å2; (12)Index of Refraction: 1.683; (13)Molar Refractivity: 50.13 cm3; (14)Molar Volume: 132.1 cm3; (15)Polarizability: 19.87x10-24cm3; (16)Surface Tension: 63.8 dyne/cm; (17)Density: 1.634 g/cm3; (18)Flash Point: 139.5 °C; (19)Enthalpy of Vaporization: 54.75 kJ/mol; (20)Boiling Point: 307 °C at 760 mmHg; (21)Vapour Pressure: 0.000746 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 and harmful if swallowed. It may cause damage to health. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical may have harm to the environment, specially attention should be given to the water body. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1ccccc1Br)N
(2)InChI: InChI=1/C7H6BrNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
(3)InChIKey: GHCQWSAFBXLYSO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H6BrNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
(5)Std. InChIKey: GHCQWSAFBXLYSO-UHFFFAOYSA-N