2-Chloro-6-fluoro-3-methylbenzaldehyde

HCID 736334

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Basic information

CAS: 104451-99-2
Standard SMILES: Cc1ccc(F)c(C=O)c1Cl
InChIKey: CSYKEPRGLYWJCW-UHFFFAOYSA-N
Molecular formula: C8H6ClFO
Average molar mass: 172.58 g/mol
Monoisotopic mass: 172.00912071

Names & identifiers

Preferred name: 2-Chloro-6-fluoro-3-methylbenzaldehyde
IUPAC: 2-chloro-6-fluoro-3-methylbenzaldehyde
English name: 2-Chloro-6-fluoro-3-methylbenzaldehyde
Molecular formula: C8H6ClFO
Molecular weight: 172.58

Names & synonyms

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2DTXSID20352997RefChem:259086DTXCID10304061621-040-0MFCD016313602-Chloro-6-Fluoro-3-Methyl-Benzaldehyde2-Chloro-6-fluoro-m-tolualdehydeBenzaldehyde, 2-chloro-6-fluoro-3-methyl-SCHEMBL8282182 - Chloro - 6 - fluoro - 3 - methylbenzaldehyde

Show more names

TIMTEC-BB SBB0038272-chloro-6-fluoro-5-methylbenzaldehyde2-Chloro-6-fluoro-3-methylbenzaldehyde,98%2-Chloro-4-fluoro-3-formyltoluene, 2-Chloro-6-fluoro-m-tolualdehyde

SCHEMBL5202131SCHEMBL29956992CSYKEPRGLYWJCW-UHFFFAOYSA-NSBB003827AKOS0052583342-fluoro-5-methyl-6-chlorobenzaldehydeAS-35842DB-040545

Database identifiers

CAS: 104451-99-2
PubChem CID: 736334
DTXSID: DTXSID20352997
EC Number: 621-040-0
Nikkaji: J2.725.060B

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 30 · 30-33 °C(lit.)
Boiling point: 225.1 · 225.1±35.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
Flash point: 230 °F · 230 °F
form: Crystalline Solid
color: Off-white
Sensitive: Air Sensitive
CAS DataBase Reference: 104451 · 104451-99-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29130000 · 29130000

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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.