| Identification | More | [Name]
4-BROMOPHENYL ISOTHIOCYANATE | [CAS]
1985-12-2 | [Synonyms]
1-BROMO-4-ISOTHIOCYANATOBENZENE
4-BROMOPHENYL ISOTHIOCYANATE
ISOTHIOCAYNIC ACID 4-BROMOPHENYL ESTER
ISOTHIOCYANIC ACID 4-BROMOPHENYL ESTER
P-BROMOPHENYL ISOTHIOCYANATE
Benzene, 1-bromo-4-isothiocyanato-
Bromobenzene-4-isothiocyanate
Isothiocyanic acid, p-bromophenyl ester
isothiocyanicacid,p-bromophenylester
Phenylisothiocyanate, 4-bromo
Trichofytocid | [EINECS(EC#)]
628-470-8 | [Molecular Formula]
C7H4BrNS | [MDL Number]
MFCD00004808 | [Molecular Weight]
214.08 | [MOL File]
1985-12-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystalline powder | [Melting point ]
56-58 °C (lit.) | [Boiling point ]
144-145 °C (5 mmHg) | [density ]
1.7158 (rough estimate) | [refractive index ]
1.6070 (estimate) | [Fp ]
>110°C | [storage temp. ]
Refrigerator (+4°C) | [form ]
powder to crystal | [color ]
White to Orange to Green | [Water Solubility ]
11.56mg/L(25 ºC) | [Sensitive ]
Moisture Sensitive | [BRN ]
878549 | [InChI]
1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H | [InChIKey]
XQACWEBGSZBLRG-UHFFFAOYSA-N | [SMILES]
Brc1ccc(cc1)N=C=S | [CAS DataBase Reference]
1985-12-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi,C | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation. | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
2811 | [WGK Germany ]
3
| [RTECS ]
NX8400000
| [F ]
10-21 | [Hazard Note ]
Harmful/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29309090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystalline powder | [Uses]
4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione. | [Purification Methods]
Recrystallise the isothiocyanate from boiling n-hexane. Any insoluble material is most probably the corresponding urea. It is also purified by steam distillation, cool the receiver, add NaCl and extract in Et2O, wash the extract with N H2SO4, dry (MgSO4), evaporate and recrystallise the residual solid. [Cymerman-Craig et al. Org Synth Coll Vol IV 700 1963, cf Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 6 IV 1051, 12 II 354, 12 III 1463p, 12 IV 1519.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|