2516-96-3

Name 2-Chloro-5-nitrobenzoic acid
CAS 2516-96-3
EINECS(EC#) 219-739-7
Molecular Formula C7H4ClNO4
MDL Number MFCD00007294
Molecular Weight 201.56
MOL File 2516-96-3.mol
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Chemical Properties

Appearance light yellow to light yellow-green crystalline
Melting point  165-168 °C (lit.)
Boiling point  356.5±27.0 °C(Predicted)
density  1.6
refractive index  1.6000 (estimate)
Fp  >100°C
storage temp.  Sealed in dry,Room Temperature
solubility  3.6g/l
form  Crystalline Powder
pka pK1: 2.17 (25°C)
color  Light yellow to beige-brown
BRN  1877474
Henry's Law Constant 6.5×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
InChI 1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey QUEKGYQTRJVEQC-UHFFFAOYSA-N
SMILES OC(=O)c1cc(ccc1Cl)[N+]([O-])=O
CAS DataBase Reference 2516-96-3(CAS DataBase Reference)
NIST Chemistry Reference 2-Chloro-5-nitrobenzoic acid(2516-96-3)
EPA Substance Registry System 2516-96-3(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317-H319
Precautionary statements  P261-P264-P272-P280-P302+P352-P305+P351+P338
Hazard Codes  Xn,N,Xi
Risk Statements 
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
RIDADR  UN3077 9/PG 3
WGK Germany  1
TSCA  Yes
REACH Registrations Active
HS Code  29163900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Sens. 1

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Hazard Information

Material Safety Data Sheet(MSDS)

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