4-Nitrobenzyl alcohol
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4-Nitrobenzyl alcohol
4-Nitrobenzyl alcohol(CAS No. 619-73-8)
Directory
1. Identification and Related Records
2. Chemical and Physical Properties
3. Safety and Handling
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):? Xi,? C,? F
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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