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(4-Aminophenoxy)benzene

(4-Aminophenoxy)benzene structure

CAS No:
139-59-3
Formula:
C12H11NO
Chemical Name:
(4-Aminophenoxy)benzene
Synonyms:
Benzenamine,4-phenoxy-;Aniline,p-phenoxy-;4-Phenoxybenzenamine;p-Phenoxyaniline;4-Aminodiphenyl ether;4-Phenoxyaniline;p-Aminophenyl phenyl ether;4-Amino-1-phenoxybenzene;4-Aminophenyl phenyl ether;p-Phenoxyphenylamine;4-Phenoxyphenylamine;NSC 4629;NSC 57084;NSC 61131;4-(Phenyloxy)aniline;(4-Aminophenoxy)benzene;1-Amino-4-phenoxybenzene
Categories:
Organic Chemistry > Ethers and Derivatives

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Description

brown to green-brown crystalline flakes or powder

(4-Aminophenoxy)benzene Basic Attributes

Molecular Weight：

185.226

Exact Mass：

185.22

EC Number：

205-367-2

NSC Number：

61131|57084|4629

DSSTox ID：

DTXSID8059687

HScode：

29222990

Characteristics

PSA：

35.2

XLogP3：

2.9

Appearance：

brown to green-brown crystalline flakes or powder

Density：

1.0936 (rough estimate)

Melting Point：

83 °C

Boiling Point：

187-189 °C

Flash Point：

155.8±16.4 °C

Refractive Index：

1.5300 (estimate)

Water Solubility：

< 1 g/L (20 ºC)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Toxicity：

skn-rbt 500 mg/24H MLD 28ZPAK -,119,72

Safety Information

Packing level：

I; II; III

Hazard category：

IRRITANT 9

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22;R43;R50/53;R68

safety instructions：

26-36/37/39-61-45-24

RTECS Number：

BY7930000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H317-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

4-phenoxyaniline has known human metabolites that include N-(4-Phenoxyphenyl)acetamide.

MeSH Entry Terms：

4-aminodiphenyl ether

(4-Aminophenoxy)benzene Use and Manufacturing

Manufacturing Info：

Benzenamine, 4-phenoxy-: ACTIVE

Computed Properties

Molecular Weight:185.22
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:185.084063974
Monoisotopic Mass:185.084063974
Topological Polar Surface Area:35.2
Heavy Atom Count:14
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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