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3-Hydroxybenzaldehyde

3-Hydroxybenzaldehyde structure

CAS No:
100-83-4
Formula:
C7H6O2
Chemical Name:
3-Hydroxybenzaldehyde
Synonyms:
Benzaldehyde,3-hydroxy-;Benzaldehyde,m-hydroxy-;3-Hydroxybenzaldehyde;m-Formylphenol;3-Formylphenol;m-Hydroxybenzaldehyde;NSC 3504;5-Hydroxybenzaldehyde
Categories:
Pharmaceutical Intermediates > Antidementia Agents

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Description

Off-White SolidChEBI: A hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

3-Hydroxybenzaldehyde Basic Attributes

Molecular Weight：

122.123

Exact Mass：

122.12

EC Number：

202-892-9

UNII：

8Z2819J40E

NSC Number：

3504

DSSTox ID：

DTXSID7059220

HScode：

29124900

Characteristics

PSA：

37.3

XLogP3：

1.4

Appearance：

Slightly brown crystalline powder.

Density：

1.1299 g/cm³ @ Temp: 113.6 °C

Melting Point：

108 °C

Boiling Point：

240 °C

Flash Point：

191°C/50mm

Refractive Index：

1.5286 (estimate)

Water Solubility：

soluble in DMSO and Methanol

Storage Conditions：

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

Vapor Pressure：

2.09E-24mmHg at 25°C

Henrys Law Constant：

2.50e-09 atm-m3/mole

Collision Cross Section：

118 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36-24/25

RTECS Number：

CU6450000

Marks：

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 (92.98%): 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 58 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-hydroxybenzaldehyde

3-Hydroxybenzaldehyde Use and Manufacturing

Uses

Intermediate for dyes, plastics, pharmaceuticals, and bactericides; color reagent for Schiff’s reagent, sensitizing agent in photographic emulsions.

Manufacturing Info：

Benzaldehyde, 3-hydroxy-: ACTIVE

Use Classification：

Insecticides

Computed Properties

Molecular Weight:122.12
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:122.036779430
Monoisotopic Mass:122.036779430
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

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3-Hydroxybenzaldehyde

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