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alpha-Chlorobenzaldoxime

alpha-Chlorobenzaldoxime structure

CAS No:
698-16-8
Formula:
C7H6ClNO
Chemical Name:
alpha-Chlorobenzaldoxime
Synonyms:
-Chlorobenzaldoxime;A-CHLOROBENZALDOXIME;o-Chlorobenzaldoxime;-Chlorobenzaldehydeoxime;ALPHA-CHLOROBENZALDOXIME;BenzohydroximoylChloride;Phenylchloromethanone oxime;Chlorophenylmethanone oxime;N-Hydroxybenzimidoyl chloride;(E)-2-chlorobenzaldehyde oxiMe
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless crystals

alpha-Chlorobenzaldoxime Basic Attributes

Molecular Weight：

155.58

Exact Mass：

155.01400

HScode：

2925290090

Characteristics

PSA：

32.59000

XLogP3：

2.06120

Density：

1.21g/cm3

Melting Point：

48-52°C

Boiling Point：

275.8ºC at 760 mmHg

Flash Point：

120.6ºC

Refractive Index：

1.55

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

S26; S36/37/39

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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

alpha-Chlorobenzaldoxime Use and Manufacturing

Methods of Manufacturing

Dissolve benzaldehyde oxime in chloroform, cool to -2°C, and pour dry chlorine into it while stirring, and keep the temperature below -2°C. After chlorination, the dissolved chlorine was removed under reduced pressure, and the solvent was evaporated at 40°C. The residue is dissolved in petroleum ether and cooled to crystallize chlorinated benzaldehyde oxime.

Uses

Used in organic synthesis.

Computed Properties

Molecular Weight:155.58
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:155.0137915
Monoisotopic Mass:155.0137915
Topological Polar Surface Area:32.6
Heavy Atom Count:10
Complexity:130
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

7419-56-9

7419-56-9