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2,5-Dihydroxybenzaldehyde

2,5-Dihydroxybenzaldehyde structure

CAS No:
1194-98-5
Formula:
C7H6O3
Chemical Name:
2,5-Dihydroxybenzaldehyde
Synonyms:
Benzaldehyde,2,5-dihydroxy-;Gentisaldehyde;2,5-Dihydroxybenzaldehyde;5-Hydroxysalicylaldehyde;Formylhydroquinone;NSC 72387
Categories:
Chemical Reagents > Organic Reagents

Description

yellow to khaki-green crystalline powderChEBI: A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5.

Solid

2,5-dihydroxybenzaldehyde is a dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5. It has a role as a Penicillium metabolite, a mouse metabolite and a human metabolite.

2,5-Dihydroxybenzaldehyde Basic Attributes

Molecular Weight：

138.122

Exact Mass：

138.12

EC Number：

214-789-6

UNII：

0Q83HDS90W

NSC Number：

72387

DSSTox ID：

DTXSID1061601

HScode：

29124990

Characteristics

PSA：

57.5

XLogP3：

1.2

Appearance：

Solid

Density：

1.2667 (rough estimate)

Melting Point：

277 °C

Boiling Point：

213.5°C (rough estimate)

Flash Point：

135.1±18.3 °C

Refractive Index：

1.4797 (estimate)

Water Solubility：

H2O: 13.8g/l soluble

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

Vapor Pressure：

0.0029mmHg at 25°C

Collision Cross Section：

122 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|119.54 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Packing level：

I; II

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36/37/39-37/39-26,37/39-36

Marks：

Stability/Shelf Life：

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

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H317-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,5-dihydroxybenzaldehyde

2,5-Dihydroxybenzaldehyde Use and Manufacturing

Manufacturing Info：

Benzaldehyde, 2,5-dihydroxy-: INACTIVE

Computed Properties

Molecular Weight:138.12
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:138.031694049
Monoisotopic Mass:138.031694049
Topological Polar Surface Area:57.5
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

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Guide of 2,5-Dihydroxybenzaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Price Analysis
Recommended Suppliers
Latest News
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