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N-Phenylguanidine

N-Phenylguanidine structure

CAS No:
2002-16-6
Formula:
C7H9N3
Chemical Name:
N-Phenylguanidine
Synonyms:
Guanidine,N-phenyl-;Guanidine,phenyl-;N-Phenylguanidine;Phenylguanidine;1-Phenylguanidine
Categories:
Chemical Reagents > Organic Reagents

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N-Phenylguanidine Basic Attributes

Molecular Weight：

135.16646

Exact Mass：

135.17

EC Number：

217-898-7

DSSTox ID：

DTXSID70173836

HScode：

2925290090

Characteristics

PSA：

64.4

XLogP3：

1.86500

Density：

1.17g/cm3

Melting Point：

222 °C

Boiling Point：

290.5ºC at 760mmHg

Flash Point：

129.5ºC

Safety Information

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P391, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 89 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

phenylguanidine

N-Phenylguanidine Use and Manufacturing

Methods of Manufacturing

The preparation method is to add aniline and appropriate hydrochloric acid to the reaction kettle, then add the phase transfer catalyst, add 50% cyanamide solution dropwise under stirring, keep the temperature at 60～70℃, keep the temperature for 2.5h after the addition, add alkali Adjust pH=7 to obtain solid, wash with water and dry to obtain finished product.

Uses

Phenylguanidine is an intermediate of the fungicide methyl azoxystrobin and azoxystrobin.

Computed Properties

Molecular Weight:135.17
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:135.079647300
Monoisotopic Mass:135.079647300
Topological Polar Surface Area:64.4
Heavy Atom Count:10
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes