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Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester

Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester structure

CAS No:
19013-10-6
Formula:
C9H9NO5
Chemical Name:
Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
Synonyms:
Benzoic acid,4-hydroxy-3-nitro-,ethyl ester;4-Hydroxy-3-nitrobenzoic acid ethyl ester;Ethyl 4-hydroxy-3-nitrobenzoate;Ethyl 3-nitro-4-hydroxybenzoate;4-(Ethoxycarbonyl)-2-nitrophenol

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Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester Basic Attributes

Molecular Weight：

211.17100

Exact Mass：

211.17

EC Number：

242-751-9

DSSTox ID：

DTXSID90172487

HScode：

2918290000

Characteristics

PSA：

92.35000

XLogP3：

2.00030

Density：

1.37g/cm3

Melting Point：

72-74 °C

Boiling Point：

323.5ºC

Flash Point：

149.5ºC

Refractive Index：

1.577

Vapor Pressure：

0.000138mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:211.17
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:211.04807239
Monoisotopic Mass:211.04807239
Topological Polar Surface Area:92.4
Heavy Atom Count:15
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ETHYL 4-HYDROXY-3-NITROBENZOATE

CAS No.: 19013-10-6

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Guide of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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