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4-Fluorobenzaldehyde

CAS
459-57-4
Catalog Number
ACM459574
Category
Other Products
Molecular Weight
124.11
Molecular Formula
C7H5FO

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Specification

IUPAC Name
4-fluorobenzaldehyde
Canonical SMILES
C1=CC(=CC=C1C=O)F
InChI
InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChI Key
UOQXIWFBQSVDPP-UHFFFAOYSA-N
Boiling Point
181 °C
Melting Point
-10.0 °C
Density
Air Sensitive
Appearance
Colorless to Light orange to Yellow clear liquid
Storage
Store under inert gas
Complexity
95.1
Covalently-Bonded Unit Count
1
EC Number
207-293-6
Exact Mass
124.032443g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H226 : Flammable liquid and vapor.
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
9
LogP
1.54 (LogP)
MDL Number
MFCD00003378
Monoisotopic Mass
124.032443g/mol
NSC Number
68095
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P240 : Ground/bond container and receiving equipment.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P233 : Keep container tightly closed.P243 : Take precautionary measures against static discharge.P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.P242 : Use only non-sparking tools.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P403 + P235 : Store in a well-ventilated place. Keep cool.
Refractive Index
1.52
RIDADR
UN 2735PSN1 8 / PGIII
Rotatable Bond Count
1
Signal Word
Warning
Specific Gravity
1.18
Symbol
GHS07
UNII
N8681893GA
XLogP3
1.6
What is the molecular formula of 4-Fluorobenzaldehyde?

The molecular formula of 4-Fluorobenzaldehyde is C7H5FO.

What is the molecular weight of 4-Fluorobenzaldehyde?

The molecular weight of 4-Fluorobenzaldehyde is 124.11 g/mol.

What is the IUPAC name of 4-Fluorobenzaldehyde?

The IUPAC name of 4-Fluorobenzaldehyde is 4-fluorobenzaldehyde.

What is the InChI of 4-Fluorobenzaldehyde?

The InChI of 4-Fluorobenzaldehyde is InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H.

What is the InChIKey of 4-Fluorobenzaldehyde?

The InChIKey of 4-Fluorobenzaldehyde is UOQXIWFBQSVDPP-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Fluorobenzaldehyde?

The canonical SMILES of 4-Fluorobenzaldehyde is C1=CC(=CC=C1C=O)F.

What is the CAS number of 4-Fluorobenzaldehyde?

The CAS number of 4-Fluorobenzaldehyde is 459-57-4.

What is the XLogP3 value of 4-Fluorobenzaldehyde?

The XLogP3 value of 4-Fluorobenzaldehyde is 1.6.

How many hydrogen bond donor counts are there in 4-Fluorobenzaldehyde?

There are no hydrogen bond donor counts in 4-Fluorobenzaldehyde.

How many hydrogen bond acceptor counts are there in 4-Fluorobenzaldehyde?

There are two hydrogen bond acceptor counts in 4-Fluorobenzaldehyde.

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