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3-Nitrobenzyl alcohol

3-Nitrobenzyl alcohol structure

CAS No:
619-25-0
Formula:
C7H7NO3
Chemical Name:
3-Nitrobenzyl alcohol
Synonyms:
Benzenemethanol,3-nitro-;Benzyl alcohol,m-nitro-;3-Nitrobenzenemethanol;m-Nitrobenzyl alcohol;3-Nitrobenzyl alcohol;(3-Nitrophenyl)methanol;NSC 5388;m-Nitrophenylmethanol;m-(Hydroxymethyl)nitrobenzene;185532-94-9
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow to brown crystalline low melting solid

3-Nitrobenzyl alcohol Basic Attributes

Molecular Weight：

153.14

Exact Mass：

153.14

BRN：

2044769

EC Number：

210-588-2

UNII：

F829X990IV

NSC Number：

5388

DSSTox ID：

DTXSID0060698

HScode：

29062900

Characteristics

PSA：

XLogP3：

1.2

Appearance：

Yellow Solid

Density：

1.3±0.1 g/cm3

Melting Point：

30.5 °C

Boiling Point：

175-180 °C

Flash Point：

>230 °F

Refractive Index：

1.598

Water Solubility：

It is soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

11-34

safety instructions：

24/25-45-36/37/39-26-16

RTECS Number：

DP0657000

Marks：

Xi,C,F

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-nitrobenzyl alcohol

3-Nitrobenzyl alcohol Use and Manufacturing

Methods of Manufacturing

Mix 2.0g potassium borohydride and 2ml 2mol/L sodium hydroxide into 18ml aqueous solution, add dropwise to a mixture of 100ml methanol and 15.1g m-nitrobenzaldehyde under stirring, and control the reaction at 18-25°C. Then add dilute sulfuric acid to acidify, distill methanol from the reaction solution, extract with ether, wash and dry the extract to remove ether, distill under reduced pressure, collect fractions from 183-185°C (2.26kPa) to obtain 13g m-nitrobenzyl alcohol .

Uses

For organic synthesis

Manufacturing Info：

Benzenemethanol, 3-nitro-: ACTIVE

Computed Properties

Molecular Weight:153.14
XLogP3:1.2
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
Heavy Atom Count:11
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

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CAS No.: 619-25-0

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