CAS 135427-08-6 4-Fluoro-3-methylbenzaldehyde (HCID 2734874)

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Basic information

CAS: 135427-08-6
Standard SMILES: Cc1cc(C=O)ccc1F
InChIKey: NRFKZFFVTGGEQF-UHFFFAOYSA-N
Molecular formula: C8H7FO
Average molar mass: 138.14 g/mol
Monoisotopic mass: 138.04809306

Names & identifiers

Preferred name: 4-Fluoro-3-methylbenzaldehyde
IUPAC: 4-fluoro-3-methylbenzaldehyde
English name: 4-Fluoro-3-methylbenzaldehyde
Molecular formula: C8H7FO
Molecular weight: 138.14

Names & synonyms

4-Fluoro-3-methylbenzaldehyde135427-08-6DTXSID90370547RefChem:523224DTXCID20321582670-735-5MFCD016314314-fluoro-3-methyl-benzaldehyde4-Fluoro-3-Methyl benzaldehyde3-METHYL-4-FLUOROBENZALDEHYDE4-FLUORO-M-TOLUALDEHYDE4-Fluoro-3-methylbenzaldehyde, 97%

Show more names

4-Fluoro-3-methylbenzaldehyde>4-Fluoro-3-methylbenzaldehyde, 97+%Benzaldehyde, 4-fluoro-3-methyl- (9CI)4-Fluoro-m-tolualdehyde, 2-Fluoro-5-formyltoluene

EN300-61152F0001-0459Z732814060Benzaldehyde, 4-fluoro-3-methyl-3-methyl-4-fluoSCHEMBL3360673-methyl-4-fluoro benzaldehydeSCHEMBL3279463

Database identifiers

CAS: 135427-08-6
PubChem CID: 2734874
DTXSID: DTXSID90370547
EC Number: 670-735-5
Nikkaji: J2.987.711D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 208 °C · 208 °C (lit.)
Density: 1.132 g/mL · 1.132 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.522(lit.)
Flash point: 79 °C · 79 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
BRN: 4797794 · 4797794
InChI: 1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChIKey: NRFKZFFVTGGEQF-UHFFFAOYSA-N
SMILES: Cc1cc(C=O)ccc1F
CAS DataBase Reference: 135427 · 135427-08-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29130000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319-H335
Precautionary statements: P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

Chemistry & industry

Applications

Uses4-Fluoro-3-methylbenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dye stuff field.