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3-Nitroanisole

3-Nitroanisole structure

CAS No:
555-03-3
Formula:
C7H7NO3
Chemical Name:
3-Nitroanisole
Synonyms:
Benzene,1-methoxy-3-nitro-;Anisole,m-nitro-;1-Methoxy-3-nitrobenzene;m-Methoxynitrobenzene;m-Nitroanisole;3-Nitroanisole;3-Methoxynitrobenzene;Methyl m-nitrophenyl ether;3-Methoxy-1-nitrobenzene;3-Nitromethoxybenzene;m-Nitroanisole;NSC 4956;1-Nitro-3-methoxybenzene;721942-45-6
Categories:
Chemical Reagents > Organic Reagents

Description

Yellow low melting solid

3-nitroanisole is a member of the class of 3-nitroanisoles that is anisole in which one of the hydrogens meta to the methoxy group is replaced by a nitro group.

3-Nitroanisole Basic Attributes

Molecular Weight：

153.14

Exact Mass：

153.14

EC Number：

209-079-8

UNII：

V9920UY61E

NSC Number：

4956

DSSTox ID：

DTXSID3060295

HScode：

29093090

Characteristics

PSA：

XLogP3：

2.17

Density：

1.2±0.1 g/cm3

Melting Point：

38.5 °C

Boiling Point：

258 °C

Flash Point：

>110°C

Refractive Index：

1.543

Water Solubility：

alcohol: soluble (lit.)

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3458

wgk germany：

hazard class code：

safety instructions：

24/25

RTECS Number：

BZ8787000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Toxicity

Bioconcentration：

6.03

Drug Information

Biological Half-Life：

0.09 Days

3-Nitroanisole Use and Manufacturing

Uses

For organic synthesis

Manufacturing Info：

Benzene, 1-methoxy-3-nitro-: ACTIVE

Computed Properties

Molecular Weight:153.14
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:153.042593085
Monoisotopic Mass:153.042593085
Topological Polar Surface Area:55
Heavy Atom Count:11
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes