4-nitrobenzyl alcohol

CAT: 1266-JH382831Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

619-73-8

UN Code

UN 3276

Hazard Statement

Xi; C; F

Stability

Stable under normal temperatures and pressures.

Molecular Formula

C7H7NO3

Molecular Weight

153.14

Product Name Synonym

RARECHEM AL BD 0193

Physical Properties

Light yellow to yellow powder.

Hazardous Class

6.1

Safety Statements

S24/25

Density

1.33g/cm3

Flash Point

180oC

RIDADR

UN 3276

Melting Point

92-95oC

Chemical Information

4-Nitrobenzyl alcohol

4-nitrobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted at the para-position by a nitro group. It has a role as a xenobiotic metabolite. It is a member of benzyl alcohols and a C-nitro compound.

CAS Number	619-73-8
PubChem CID	69275
IUPAC Name	(4-nitrophenyl)methanol
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	1.3
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	135

SMILES

C1=CC(=CC=C1CO)[N+](=O)[O-]

InChI

InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2

InChIKey

JKTYGPATCNUWKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 619-73-8

CID: 69275

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
Topological Polar Surface Area	66.1 Å²
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
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
285038-01	4-Nitrobenzyl alcohol
PDK0308	4-Nitrobenzyl alcohol (4-Nitrobenzenemathanol)
M29533-01	4-Hydroxy-3-Nitrobenzyl Alcohol
1853D 00025	4-Nitrobenzyl Alcohol 98% Extrapure
430858-01	4-Bromo-2-nitrobenzyl alcohol
270224-01	4-Chloro-3-nitrobenzyl alcohol
233439-01	4-Nitrobenzyl alcohol 99.5+%
abx185144-01	3-Methoxy-4-Nitrobenzyl Alcohol
PC57032-01	2-Fluoro-4-nitrobenzyl alcohol
PC4403-01	3-Fluoro-4-nitrobenzyl alcohol

4-nitrobenzyl alcohol

Chemical Information

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