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3-Bromobenzaldehyde

3-Bromobenzaldehyde structure

CAS No:
3132-99-8
Formula:
C7H5BrO
Chemical Name:
3-Bromobenzaldehyde
Synonyms:
Benzaldehyde,3-bromo-;Benzaldehyde,m-bromo-;3-Bromobenzaldehyde;m-Bromobenzaldehyde;3-Formylbromobenzene;NSC 66828;3-Formyl-1-bromobenzene;5-Bromobenzaldehyde;m-Formylphenyl bromide;3-Formylphenyl bromide;4-Pyridinecarboxaldehyde,2-hydrazinyl-;2222571-80-2;2377515-68-7
Categories:
Agrochemicals > Pesticide Intermediates

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Description

clear colorless to yellow liquid after melting

3-Bromobenzaldehyde Basic Attributes

Molecular Weight：

185.02

Exact Mass：

185.02

BRN：

1634534

EC Number：

221-526-9

UNII：

W0ARD2ZJ82

NSC Number：

66828

DSSTox ID：

DTXSID4027521

HScode：

29130000

Characteristics

PSA：

17.1

XLogP3：

2.4

Appearance：

very faintly to deep brownish-yellow Liquid After Melting

Density：

1.3007 g/cm³ @ Temp: 30 °C

Melting Point：

226 °C

Boiling Point：

234.5 °C

Flash Point：

96 °C

Refractive Index：

1.611

Water Solubility：

Decomposes in water

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2810

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

RTECS Number：

CU4820000

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-bromobenzaldehyde

3-Bromobenzaldehyde Use and Manufacturing

Methods of Manufacturing

The preparation method is to add AlCl3 as a catalyst in the dichloroethane solution of benzaldehyde, and then slowly drip the dichloroethane solution containing bromine. After the addition, react for a period of time for post-treatment, and distill to obtain m-bromobenzene formaldehyde.

Uses

M-Bromobenzaldehyde is an intermediate for the preparation of m-phenoxybenzaldehyde, which can synthesize a variety of pyrethroids. Used as pharmaceutical intermediate; perfume, dye and organic synthesis intermediate

Manufacturing Info：

Benzaldehyde, 3-bromo-: ACTIVE

Computed Properties

Molecular Weight:185.02
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:183.95238
Monoisotopic Mass:183.95238
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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