1985-12-2

Name 4-BROMOPHENYL ISOTHIOCYANATE
CAS 1985-12-2
EINECS(EC#) 628-470-8
Molecular Formula C7H4BrNS
MDL Number MFCD00004808
Molecular Weight 214.08
MOL File 1985-12-2.mol
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Chemical Properties

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

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

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