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4-Nitrobenzyl alcohol(CAS No. 619-73-8)

4-Nitrobenzyl alcohol C7H7NO3 (cas 619-73-8) Molecular Structure

619-73-8 Structure

Identification and Related Records

【Name】
4-Nitrobenzyl alcohol
【CAS Registry number】
619-73-8
【Synonyms】
p-Nitrobenzyl alcohol
p-(Hydroxymethyl)nitrobenzene
(4-Nitrophenyl)methanol
4-Nitrobenzenemethanol
4-06-00-02611 (Beilstein Handbook Reference)
【EINECS(EC#)】
210-611-6
【Molecular Formula】
C7H7NO3 (Products with the same molecular formula)
【Molecular Weight】
153.14
【Inchi】
InChI=1/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
【Canonical SMILES】
C1=CC(=CC=C1CO)[N+](=O)[O-]
【MOL File】
619-73-8.mol

Chemical and Physical Properties

【Appearance】
Light yellow to yellow powder.
【Density】
1.33g/cm3
【Melting Point】
92-95℃
【Boiling Point】
185℃ (12 torr)
【Refractive Index】
1.597
【Flash Point】
180℃
【Solubilities】
Slightly soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29062900
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:153.13538 [g/mol]
Molecular Formula:C7H7NO3
XLogP3:1.3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:153.042593
MonoIsotopic Mass:153.042593
Topological Polar Surface Area:66
Heavy Atom Count:11
Formal Charge:0
Complexity:135
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi,C,F
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Hazard Note】

Irritant

【Safety】

The Hazard Codes of? (4-Nitrophenyl)methanol (CAS NO.619-73-8):?IrritantXi,?CorrosiveC,?FlammableF
The Risk Statements information of? (4-Nitrophenyl)methanol (CAS NO.619-73-8):
11:? Highly Flammable?
34:? Causes burns
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of? (4-Nitrophenyl)methanol (CAS NO.619-73-8):
16:? Keep away from sources of ignition - No smoking
22:? Do not breathe dust?
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
45:? In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)?
24/25:? Avoid contact with skin and eyes?
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
RTECS: DP0657100
F: 8
Hazard Note: Irritant
HS Code: 29062900

【Specification】

?(4-Nitrophenyl)methanol , with CAS number of 619-73-8, can be called (4-Nitrophenyl)methanol ; 4-Nitrobenzenemethanol ; 4-Nitrobenzyl alcohol ; p-(Hydroxymethyl)nitrobenzene ; p-Nitrobenzyl alcohol .

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