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Benzene,1-(bromomethyl)-4-isothiocyanato-

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Name

Benzene,1-(bromomethyl)-4-isothiocyanato-

EINECS N/A
CAS No. 155863-32-4 Density 1.438g/cm3
PSA 44.45000 LogP 3.31580
Solubility chloroform: 0.1 g/mL, clear, colorless to light greenish-yellow Melting Point 98-101 °C
Formula C8H6BrNS Boiling Point 310.514°C at 760 mmHg
Molecular Weight 228.112 Flash Point 141.594°C
Transport Information N/A Appearance N/A
Safety 22-26-45 Risk Codes 25-36/37/38-42
Molecular Structure Molecular Structure of 155863-32-4 (1-BROMO-4-ISOTHIOCYANATOMETHYLBENZENE) Hazard Symbols ToxicT
Synonyms

BROMOBENZYL-4-ISOTHIOCYANATE;1-BROMO-4-ISOTHIOCYANATOMETHYLBENZENE;1-BROMO-4-ISOTHIOCYANOATOMETHYLBENZENE

Article Data 4

Benzene,1-(bromomethyl)-4-isothiocyanato- Specification

The Benzene,1-(bromomethyl)-4-isothiocyanato- is an organic compound with the formula C8H6BrNS. The systematic name of this chemical is 1-(Bromomethyl)-4-isothiocyanatobenzene. With the CAS registry number 155863-32-4, it is also named as 4-Isothiocyanatobenzyl bromide. Besides, its molecular weight is 228.11.

Physical properties about Benzene,1-(bromomethyl)-4-isothiocyanato- are: (1)ACD/LogP: 4.01; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 581; (5)ACD/BCF (pH 7.4): 581; (6)ACD/KOC (pH 5.5): 3315; (7)ACD/KOC (pH 7.4): 3315; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 44.45 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 54.799 cm3; (13)Molar Volume: 158.659 cm3; (14)Polarizability: 21.724×10-24 cm3; (15)Surface Tension: 40.612 dyne/cm; (16)Density: 1.438 g/cm3; (17)Flash Point: 141.594 °C; (18)Enthalpy of Vaporization: 52.936 kJ/mol; (19)Boiling Point: 310.514 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. It may cause sensitization by inhalation. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
(2)InChIKey: NSQGUALFBVTBHL-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
(4)Std. InChIKey: NSQGUALFBVTBHL-UHFFFAOYSA-N

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