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4-Hydroxybenzaldehyde(CAS No. 123-08-0)

4-Hydroxybenzaldehyde C7H6O2 (cas 123-08-0) Molecular Structure

123-08-0 Structure

Identification and Related Records

【Name】
4-Hydroxybenzaldehyde
【CAS Registry number】
123-08-0
【Synonyms】
p-Hydroxybenzaldehyde, Pract.
p-Hydroxybenzaldehyde
【EINECS(EC#)】
204-599-1
【Molecular Formula】
C7H6O2 (Products with the same molecular formula)
【Molecular Weight】
122.12
【Inchi】
InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
【InChIKey】
RGHHSNMVTDWUBI-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C=O)O
【MOL File】
123-08-0.mol

Chemical and Physical Properties

【Appearance】
yellow to light brown crystalline powder
【Density】
1.129
【Melting Point】
114-118℃
【Boiling Point】
246.6 °C at 760 mmHg
【Vapour】
0.0171mmHg at 25°C
【Refractive Index】
1.57055 (130 C)
【Flash Point】
101.3 °C
【Water】
13 g/L (30℃)
【Solubilities】
13 g/L (30 °C) in water
【Color/Form】
light yellow to light brown
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29124900
【Storage temp】
Store at 2-8°C
【Computed Properties】
Molecular Weight:122.12134 [g/mol]
Molecular Formula:C7H6O2
XLogP3:1.4
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:122.036779
MonoIsotopic Mass:122.036779
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Formal Charge:0
Complexity:93.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
3
【Hazard Note】

Irritant/Air Sensitive

【Safety】

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: CU6475000
Hazard Note: Irritant/Air Sensitive
HS Code: 29124900
Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

【PackingGroup 】
I; II; III
【Sensitive】
Air Sensitive
【Transport】
25kgs
【Specification】

?p-Hydroxybenzaldehyde (CAS NO.123-08-0) is also named as 4-Formylphenol ; 4-Hydroxybenzaldehyde ; AI3-15366 ; BRN 0471352 ; CCRIS 8911 ; NSC 2127 ; Parahydroxybenzaldehyde ; UNII-O1738X3Y38 ; USAF M-6 ; p-Formylphenol ; p-Oxybenzaldehyde .?p-Hydroxybenzaldehyde (CAS NO.123-08-0) is yellow to light brown crystalline powder?with aromatic odor.

【Report】

Reported in EPA TSCA Inventory.

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