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Ethyl 4-nitrobenzoate

Ethyl 4-nitrobenzoate structure

CAS No:
99-77-4
Formula:
C9H9NO4
Chemical Name:
Ethyl 4-nitrobenzoate
Synonyms:
Benzoic acid,4-nitro-,ethyl ester;Benzoic acid,p-nitro-,ethyl ester;Ethyl p-nitrobenzoate;Ethyl 4-nitrobenzoate;4-Nitrobenzoic acid ethyl ester;4-(Ethoxycarbonyl)nitrobenzene;4-Ethoxycarbonyl-1-nitrobenzene;NSC 6763
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

yellow crystalline powder

Ethyl 4-nitrobenzoate Basic Attributes

Molecular Weight：

195.17

Exact Mass：

195.17

BRN：

1912879

EC Number：

202-786-2

UNII：

1OCH6Y8NAR

NSC Number：

6763

DSSTox ID：

DTXSID1052666

HScode：

2916399090

Characteristics

PSA：

72.1

XLogP3：

2.3

Appearance：

Yellow Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

57 °C

Boiling Point：

186.3 °C

Flash Point：

148.2±25.2 °C

Refractive Index：

1.545

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

22-24/25

RTECS Number：

DH5600000

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Mobility：

302.00 L/kg

Ethyl 4-nitrobenzoate Use and Manufacturing

Methods of Manufacturing

Derived from the esterification of p-nitrobenzoic acid with ethanol.

Uses

For organic synthesis

Manufacturing Info：

Benzoic acid, 4-nitro-, ethyl ester: INACTIVE

Computed Properties

Molecular Weight:195.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:72.1
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Nitrobenzoic acid

Ethanol

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