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Cas Database |
| Name |
4-Bromophenyl isothiocyanate |
EINECS | -0 |
| CAS No. | 1985-12-2 | Density | 1.502 g/cm3 |
| PSA | 44.45000 | LogP | 3.18340 |
| Solubility | 11.56mg/L(25 oC) | Melting Point |
56-58 °C(lit.) |
| Formula | C7H4BrNS | Boiling Point | 280.098 °C at 760 mmHg |
| Molecular Weight | 214.085 | Flash Point | 123.199 °C |
| Transport Information | UN 2811 | Appearance | white to light yellow crystalline powder |
| Safety | 22-26-36/37-45 | Risk Codes | 20/21/22-36/37/38-42 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi, C
|
| Synonyms |
Isothiocyanicacid, p-bromophenyl ester (6CI,8CI);1-Bromo-4-isothiocyanatobenzene;1-Isothiocyanato-4-bromobenzene;Bromobenzene-4-isothiocyanate;NSC 72012;Trichofytocid;Trichophytocid;p-Bromophenyl isothiocyanate; |
Article Data | 85 |
4-Bromophenyl isothiocyanate Chemical Properties
IUPAC Name: 1-Bromo-4-isothiocyanatobenzene
CAS: 1985-12-2
Formula: C7H4BrNS
Molecular Weight: 214.08
Molecular Structure of 1-Bromo-4-isothiocyanatobenzene (CAS NO.1985-12-2):
Density: 1.5 g/cm3
Flash Point: 123.2 °C
Melting Point: 56-58 °C(lit.)
Boiling Point: 280.1 °C at 760 mmHg
Index of Refraction: 1.622
Molar Refractivity: 50.18 cm3
Molar Volume: 142.4 cm3
Polarizability: 19.89×10-24cm3
Surface Tension: 41.6 dyne/cm
Appearance: white to light yellow crystalline powder
Enthalpy of Vaporization: 49.8 kJ/mol
Vapour Pressure: 0.00656 mmHg at 25°C
Water Solubility: 13.38(mg/L) at 25°C
Product Categories: organic building blocks;reagents for protein sequencingorganic building blocks;protein sequencing;protein structural analysis;Sulfur compounds;thiocyanates/isothiocyanates.
4-Bromophenyl isothiocyanate Toxicity Data With Reference
| 1. | orl-rat LD50:400 mg/kg | FCTXAV Food and Cosmetics Toxicology. 5 (1967),741. | ||
| 2. | ipr-rat LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),558. | ||
| 3. | ipr-mus LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),121. |
4-Bromophenyl isothiocyanate Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, Br−, and NOx. See also THIOCYANATES and ESTERS.
Safety Information about 1-Bromo-4-isothiocyanatobenzene (CAS NO.1985-12-2):
Hazard Codes
Xn:
Xi: 
C: 
Risk Statements about 1-Bromo-4-isothiocyanatobenzene (CAS NO.1985-12-2):
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 about 1-Bromo-4-isothiocyanatobenzene (CAS NO.1985-12-2):
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).
F10: Keep under argon.
F21: Sensitive to humidity.
RIDADR: 2811
WGK Germany: 3
RTECS: NX8400000
Hazard Note: Harmful/Irritant
HazardClass: 6.1
PackingGroup: III
4-Bromophenyl isothiocyanate Specification
The chemical synonyms of 1-Bromo-4-isothiocyanatobenzene (CAS NO.1985-12-2) are P-bromophenyl isothiocyanate ; Benzene, 1-bromo-4-isothiocyanato- ; Bromobenzene-4-isothiocyanate ; Isothiocyanic acid, p-bromophenyl ester ; Isothiocyanicacid,p-bromophenylester ; Phenylisothiocyanate, 4-bromo ; Trichofytocid ; 4-Bromophenyl isothiocyanate . As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use foam, dry chemical, or carbon dioxide. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. Keep refrigerated. (Store below 4°C/39°F.) Store in a tightly closed container. Store in a dry area.
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