555-16-8

Name 4-Nitrobenzaldehyde
CAS 555-16-8
EINECS(EC#) 209-084-5
Molecular Formula C7H5NO3
MDL Number MFCD00007346
Molecular Weight 151.12
MOL File 555-16-8.mol
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Chemical Properties

Appearance YELLOW TO BROWN CRYSTALLINE POWDER
Melting point  103-106 °C(lit.)
Boiling point  273.1°C (rough estimate)
bulk density 400kg/m3
density  1,496 g/cm3
refractive index  1.5800 (estimate)
storage temp.  Store below +30°C.
solubility  2.34g/l
form  Crystalline Powder
color  Yellow to brown
Odor Odorless
Water Solubility  Soluble in water, ethanol, benzene, glacial acetic acid. Slightly soluble in ether.
Sensitive  Air Sensitive
Detection Methods GC,NMR
Merck  14,6587
BRN  386796
InChI 1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChIKey BXRFQSNOROATLV-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(C=O)cc1
CAS DataBase Reference 555-16-8(CAS DataBase Reference)
NIST Chemistry Reference Benzaldehyde, 4-nitro-(555-16-8)
EPA Substance Registry System 555-16-8(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317-H319
Precautionary statements  P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
R68:Possible risk of irreversible effects.
Safety Statements 
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 .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany  2
RTECS  CU7350000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HS Code  29130000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Sens. 1
Toxicity
LD50 orally in Rabbit: 4700 mg/kg LD50 dermal Rat 16000 mg/kg

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