3-Chloro-4-methoxybenzaldehyde (HCID 78619)

Names & identifiers

Preferred name: 3-Chloro-4-methoxybenzaldehyde
IUPAC: 3-chloro-4-methoxybenzaldehyde
English name: 3-Chloro-4-methoxybenzaldehyde
Molecular formula: C8H7ClO2
Molecular weight: 170.59

Names & synonyms

3-Chloro-4-methoxybenzaldehyde4903-09-73-ChloroanisaldehydeDTXSID50197671RefChem:911242DTXCID10120162225-532-23-Chloro-p-anisaldehydeBenzaldehyde, 3-chloro-4-methoxy-3-Chloro-anisaldehydeMFCD000166013-Chloro-4-methoxy-benzaldehyde

Show more names

40903-09-7AKOS B029259TIMTEC-BB SBB003854CHEMBRDG-BB 69458164-Methoxy-3-chlorobenzaldehyde3-CHLORO-P-ANISALDEHYDE, 98+% GC

SCHEMBL335717SCHEMBL5541711SCHEMBL29952908CHEBI:200810EINECS 225-532-2CL8902SBB003854STK198720

Database identifiers

CAS: 4903-09-7
PubChem CID: 78619
DTXSID: DTXSID50197671
ChEBI: CHEBI:200810
EC Number: 225-532-2
Nikkaji: J262.523G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 56 · 56-60 °C (lit.)
Boiling point: 128 °C · 128 °C(Press: 5 Torr)
Density: 1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Almost white
Sensitive: Air Sensitive
InChI: 1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey: WYVGYYIZXPXHAZ-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(OC)c(Cl)c1
CAS DataBase Reference: 4903 · 4903-09-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 29130000 · 29130000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29130000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3-Chloro-4-methoxybenzaldehyde is mainly used in organic synthesis, as a drug intermediate and chemical reagent, and is widely used in pharmaceuticals, materials science and other fields.