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5-Bromovanillin

5-Bromovanillin structure

CAS No:
2973-76-4
Formula:
C8H7BrO3
Chemical Name:
5-Bromovanillin
Synonyms:
Benzaldehyde,3-bromo-4-hydroxy-5-methoxy-;Vanillin,5-bromo-;3-Bromo-4-hydroxy-5-methoxybenzaldehyde;5-Bromovanillin;5-Bromo-4-hydroxy-3-methoxybenzaldehyde;5-Bromo-4-hydroxy-3-anisaldehyde;5-Bromo-3-methoxy-4-hydroxybenzaldehyde;6-Bromo-4-formyl-2-methoxyphenol;NSC 10073;NSC 29037;3-Methoxy-4-hydroxy-5-bromobenzaldehyde;3-Bromo-5-methoxy-4-hydroxybenzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light brown crystalline powder

5-Bromovanillin Basic Attributes

Molecular Weight：

231.045

Exact Mass：

231.04

EC Number：

221-016-6

UNII：

508WVS56PW

NSC Number：

29037|10073

DSSTox ID：

DTXSID7022203

HScode：

2913000090

Characteristics

PSA：

46.5

XLogP3：

2.40

Appearance：

light brown crystalline powder

Density：

1.7±0.1 g/cm3

Melting Point：

214 °C

Boiling Point：

289.5±35.0 °C at 760 mmHg

Flash Point：

128.9±25.9 °C

Refractive Index：

1.623

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

1.47E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39-S36/37/39-S22-S24/25-S20/21

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)|Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)|Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved. (See all compounds classified as Antimutagenic Agents.)

MeSH Entry Terms：

4-hydroxy-3-methoxybenzaldehyde

5-Bromovanillin Use and Manufacturing

Manufacturing Info：

Benzaldehyde, 3-bromo-4-hydroxy-5-methoxy-: INACTIVE

Computed Properties

Molecular Weight:231.04
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:229.95786
Monoisotopic Mass:229.95786
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Diisopropyl ether

Vanillin

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CAS No.: 2973-76-4

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