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4-Nitrobenzyl alcohol

4-Nitrobenzyl alcohol structure

CAS No:
619-73-8
Formula:
C7H7NO3
Chemical Name:
4-Nitrobenzyl alcohol
Synonyms:
Benzenemethanol,4-nitro-;Benzyl alcohol,p-nitro-;4-Nitrobenzenemethanol;4-Nitrobenzyl alcohol;p-(Hydroxymethyl)nitrobenzene;(4-Nitrophenyl)methanol;p-Nitrobenzyl alcohol;4-(Hydroxymethyl)nitrobenzene;1-(Hydroxymethyl)-4-nitrobenzene;NSC 5389;p-Nitrophenylmethanol;185532-82-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

white to light yellow crystal powde

4-Nitrobenzenemethanol is a potential building block in the synthesis of various pharmaceuticals.

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.

4-Nitrobenzyl alcohol Basic Attributes

Molecular Weight：

153.14

Exact Mass：

153.14

EC Number：

210-611-6

UNII：

86BTJ68Y9M

NSC Number：

5389

DSSTox ID：

DTXSID1052298

HScode：

29062900

Characteristics

PSA：

XLogP3：

1.3

Appearance：

Light yellow to yellow powder.

Density：

1.3±0.1 g/cm3

Melting Point：

96.5 °C

Boiling Point：

185 °C

Flash Point：

148.1±9.4 °C

Refractive Index：

1.598

Water Solubility：

Soluble in water (2 mg/ml at 20°C).

Storage Conditions：

Store at RT.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25-S36/37/39-S26

RTECS Number：

DP0657100

Marks：

Xi,C,F

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-nitrobenzyl alcohol

4-Nitrobenzyl alcohol Use and Manufacturing

Uses

4-Nitrobenzenemethanol is a potential building block in the synthesis of various pharmaceuticals.

Manufacturing Info：

Benzenemethanol, 4-nitro-: ACTIVE

Computed Properties

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
Heavy Atom Count:11
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

139259-98-6

1780-19-4

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