104-95-0

Name 4-Bromothioanisole
CAS 104-95-0
EINECS(EC#) 203-255-8
Molecular Formula C7H7BrS
MDL Number MFCD00000102
Molecular Weight 203.1
MOL File 104-95-0.mol

Chemical Properties

Appearance white to beige low melting crystalline mass,
Melting point  38-40 °C(lit.)
Boiling point  128-130 °C10 mm Hg(lit.)
density  1.5027 (estimate)
Fp  >230 °F
storage temp.  Inert atmosphere,2-8°C
form  Low Melting Crystalline Mass, Crystals, Crystalline Powder or Chunks
color  White to beige
Specific Gravity 1.07
Sensitive  Stench
BRN  1906693
InChI InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey YEUYZNNBXLMFCW-UHFFFAOYSA-N
SMILES C1(Br)=CC=C(SC)C=C1
CAS DataBase Reference 104-95-0(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-bromo-4-(methylthio)-(104-95-0)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
Hazard Codes  Xn,Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  UN 3335
WGK Germany  3
Hazard Note  Irritant/Stench
REACH Registrations Active
HazardClass  IRRITANT, STENCH
HS Code  29093090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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