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Benzylaniline

Benzylaniline structure

CAS No:
103-32-2
Formula:
C13H13N
Chemical Name:
Benzylaniline
Synonyms:
Benzenemethanamine,N-phenyl-;Benzylamine,N-phenyl-;N-Phenylbenzenemethanamine;N-Benzylaniline;Benzylphenylamine;Benzenamine,N-(phenylmethyl)-;Benzylaniline;Phenylbenzylamine;N-Phenylbenzylamine;N-Benzylbenzenamine;N-Benzyl-N-phenylamine;N-Phenyl-N-benzylamine;N-Benzylphenylamine;NSC 147284
Categories:
Organic Chemistry > Amides

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Description

colorless to yellow-beige crystalline powder

Benzylaniline Basic Attributes

Molecular Weight：

183.25

Exact Mass：

183.25

EC Number：

203-100-4

UNII：

R1FVH9A316

NSC Number：

147284

DSSTox ID：

DTXSID7059272

HScode：

29214980

Characteristics

PSA：

XLogP3：

3.37170

Appearance：

Colorless to yellow-beige Crystalline Powder or Low Melting Mass

Density：

1.0298 g/cm³ @ Temp: 65 °C

Melting Point：

37.5 °C

Boiling Point：

306.5 °C

Flash Point：

217 °F

Refractive Index：

n 20/D 1.5325(lit.)

Water Solubility：

H2O: INsoluble ;alcohol: soluble

Storage Conditions：

0-6°C

Safety Information

Transport codes：

UN 2577 8/PG 2

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

C,Xi

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

Drug Information

MeSH Entry Terms：

benzylaniline

Benzylaniline Use and Manufacturing

Methods of Manufacturing

Derived from the condensation of benzyl chloride and aniline. Sodium bicarbonate, water and aniline are mixed and stirred, heated to 90-95°C, and slowly added benzyl chloride. Reaction at 90-95°C for 3h. Cool and filter. The filtrate was separated into layers, and the organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. Then distill under reduced pressure, collect 81°C (1.6kPa) fraction to recover aniline, and cool and solidify the 170-190°C (1.6kPa) fraction to obtain benzyl aniline. Petroleum ether can be used for recrystallization during refining. The yield is over 80%.

Uses

N-Benzylaniline is a major metabolite of the antihistaminic Antazoline and other N-substituted benzylanilines.

Manufacturing Info：

Benzenemethanamine, N-phenyl-: ACTIVE

Computed Properties

Molecular Weight:183.25
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:183.104799419
Monoisotopic Mass:183.104799419
Topological Polar Surface Area:12
Heavy Atom Count:14
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl chloride

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