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3-Nitrophenylacetic acid

3-Nitrophenylacetic acid structure

CAS No:
1877-73-2
Formula:
C8H7NO4
Chemical Name:
3-Nitrophenylacetic acid
Synonyms:
Benzeneacetic acid,3-nitro-;Acetic acid,(m-nitrophenyl)-;3-Nitrobenzeneacetic acid;3-Nitrophenylacetic acid;(m-Nitrophenyl)acetic acid;2-(3-Nitrophenyl)acetic acid;NSC 93911
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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3-Nitrophenylacetic acid Basic Attributes

Molecular Weight：

181.15

Exact Mass：

181.15

BRN：

2050088

EC Number：

217-512-7

NSC Number：

93911

DSSTox ID：

DTXSID60172075

HScode：

29163990

Characteristics

PSA：

83.1

XLogP3：

1.5

Appearance：

Cream Crystalline Powder

Density：

1.4±0.1 g/cm3

Melting Point：

117-120 °C

Boiling Point：

373.8°C at 760 mmHg

Flash Point：

169.8±9.4 °C

Refractive Index：

1.598

Water Solubility：

soluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

AJ1129900

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Nitrophenylacetic acid Use and Manufacturing

A useful synthetic intermediate

Computed Properties

Molecular Weight:181.15
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrahydrofuran

Carbon dioxide