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13037-60-0

Basic Information
CAS No.: 13037-60-0
Name: 2-BROMOPHENYL ISOTHIOCYANATE
Article Data: 19
Molecular Structure:
Molecular Structure of 13037-60-0 (2-BROMOPHENYL ISOTHIOCYANATE)
Formula: C7H4BrNS
Molecular Weight: 214.085
Synonyms: Isothiocyanicacid, o-bromophenyl ester (7CI,8CI);2-Bromophenyl isothiocyanate;
EINECS: 264-732-4
Density: 1.5 g/cm3
Melting Point: 20 °C
Boiling Point: 256.4 °C at 760 mmHg
Flash Point: 126.9 °C
Appearance: clear light yellow liquid
Hazard Symbols: HarmfulXn; IrritantXi; CorrosiveC
Risk Codes: 36/37/38-20/21/22-42
Safety: 36/37/39-26-45
PSA: 44.45000
LogP: 3.18340
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    2-Bromophenyl isothiocyanate

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  • Benzene,1-bromo-2-isothiocyanato-

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    Benzene,1-bromo-2-isothiocyanato-

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    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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  • 2-BROMOPHENYL ISOTHIOCYANATE

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    13037-60-0

    2-BROMOPHENYL ISOTHIOCYANATE

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    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

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    13037-60-0

    2-Bromophenyl isothiocyanate

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    2-bromophenyl isothiocyanate

    Since 1983 FAR Chemical's headquarters, development labs and production facility have been located in Palm Bay, Florida. FAR Chemical produces pharmaceutical reagents and intermedi

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  • 2-Bromophenyl isothiocyanate

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    13037-60-0

    2-Bromophenyl isothiocyanate

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    4-BROMOPHENYL ISOTHIOCYANATE

    Since 1983 FAR Chemical's headquarters, development labs and production facility have been located in Palm Bay, Florida. FAR Chemical produces pharmaceutical reagents and intermedi

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    Address:USA

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  • 2-Bromophenyl isothiocyanate

  • Casno:

    13037-60-0

    2-Bromophenyl isothiocyanate

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    FOB Price:  USD $ 0.0-0.0

    Dona Fine Chemicals is a small, privately owned company established in 1990. Since that time the company has been growing steadily and its facilities are being expanded constantly.

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Specification

The Benzene,1-bromo-2-isothiocyanato-, with CAS registry number 13037-60-0, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfur Compounds; (3)Thiocyanates/Isothiocyanates. It has the systematic name of 1-bromo-2-isothiocyanatobenzene. This chemical is a kind of clear light yellow liquid. And the chemical formula of this chemical is C7H4BrNS.

Physical properties of Benzene,1-bromo-2-isothiocyanato-: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 599; (6)ACD/BCF (pH 7.4): 599; (7)ACD/KOC (pH 5.5): 3385.98; (8)ACD/KOC (pH 7.4): 3385.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 50.18 cm3; (15)Molar Volume: 142.4 cm3; (16)Polarizability: 19.89×10-24cm3; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 47.4 kJ/mol; (21)Boiling Point: 256.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0248 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2-isothiocyanato- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. It may cause sensitization by inhalation. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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 the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1/N=C=S
(2)InChI: InChI=1/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
(3)InChIKey: PAFORXDSYWMYGP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
(5)Std. InChIKey: PAFORXDSYWMYGP-UHFFFAOYSA-N