1878-68-8

Name 4-Bromophenylacetic acid
CAS 1878-68-8
EINECS(EC#) 217-523-7
Molecular Formula C8H7BrO2
MDL Number MFCD00004342
Molecular Weight 215.04
MOL File 1878-68-8.mol
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Chemical Properties

Appearance White Solid
Melting point  114-117 °C(lit.)
Boiling point  252.95°C (rough estimate)
density  1.5313 (rough estimate)
refractive index  1.4620 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  ethanol: soluble5%, clear, colorless to light yellow
form  Crystalline Powder
pka pK1: 4.188 (25°C)
color  Almost white to light yellow-beige
Water Solubility  SLIGHTLY SOLUBLE
BRN  972146
InChI 1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey QOWSWEBLNVACCL-UHFFFAOYSA-N
SMILES OC(=O)Cc1ccc(Br)cc1
LogP 2.310
CAS DataBase Reference 1878-68-8(CAS DataBase Reference)
NIST Chemistry Reference 4-Bromophenylacetic acid(1878-68-8)
EPA Substance Registry System 1878-68-8(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
WGK Germany  3
RTECS  AF6325000
Hazard Note  Irritant
TSCA  Yes
HazardClass  IRRITANT
HS Code  29163900
Storage Class 11 - Combustible Solids

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