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2-Bromobenzaldehyde

2-Bromobenzaldehyde structure

CAS No:
6630-33-7
Formula:
C7H5BrO
Chemical Name:
2-Bromobenzaldehyde
Synonyms:
Benzaldehyde,2-bromo-;Benzaldehyde,o-bromo-;2-Bromobenzaldehyde;o-Bromobenzaldehyde;1-Bromo-2-formylbenzene;2-Bromobenzenecarboxaldehyde;NSC 60390;o-Formylphenyl bromide
Categories:
Organic Chemistry > Free Radicals

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Description

clear yellow liquid after melting

2-Bromobenzaldehyde Basic Attributes

Molecular Weight：

185.02

Exact Mass：

185.02

BRN：

636132

EC Number：

229-622-2

NSC Number：

60390

DSSTox ID：

DTXSID8064430

HScode：

29130000

Characteristics

PSA：

17.1

XLogP3：

2.45

Appearance：

Clear yellow Liquid After Melting

Density：

1.305 g/cm³ @ Temp: 30 °C

Melting Point：

21.5 °C

Boiling Point：

230 °C

Flash Point：

203 °F

Refractive Index：

1.611

Water Solubility：

soluble in alcohol and benzene. Insoluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36

Marks：

Xi,Xn

Hazard note：

Irritant

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 101 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-bromobenzaldehyde

2-Bromobenzaldehyde Use and Manufacturing

Uses

2-Bromobenzaldehyde is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.

Manufacturing Info：

Benzaldehyde, 2-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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